(3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

C137H118BrClF4N18O14 — CID 160949525

IUPAC(3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnoc1-c1ccc(Br)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CC[C@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C21H19ClN2O2.C20H17BrN2O2.C20H17FN2O2.3C19H16FN3O2.C19H17N3O2/c22-19-9-5-4-8-17(19)20-18(13-23-26-20)21(25)24-11-10-16(14-24)12-15-6-2-1-3-7-15;2*21-17-8-6-15(7-9-17)19-18(12-22-25-19)20(24)23-11-10-16(13-23)14-4-2-1-3-5-14;20-16-3-1-14(2-4-16)18-17(11-22-25-18)19(24)23-10-7-15(12-23)13-5-8-21-9-6-13;2*20-16-5-3-13(4-6-16)18-17(11-22-25-18)19(24)23-9-7-15(12-23)14-2-1-8-21-10-14;23-19(17-12-21-24-18(17)15-4-2-1-3-5-15)22-11-8-16(13-22)14-6-9-20-10-7-14/h1-9,13,16H,10-12,14H2;2*1-9,12,16H,10-11,13H2;1-6,8-9,11,15H,7,10,12H2;2*1-6,8,10-11,15H,7,9,12H2;1-7,9-10,12,16H,8,11,13H2/t;;;;2*15-;/m....10./s1
InChIKeySVOLXNXOQSVXMF-RWRIDXPPSA-N
MW2431.91 g/mol
LogP27.43
Rot. Bonds22

About (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

(3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 160949525) has the molecular formula C137H118BrClF4N18O14 and a molecular weight of 2431.91 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID160949525
Molecular FormulaC137H118BrClF4N18O14
Molecular Weight2431.91 g/mol
Exact Mass2428.79
IUPAC Name(3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnoc1-c1ccc(Br)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CC[C@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C21H19ClN2O2.C20H17BrN2O2.C20H17FN2O2.3C19H16FN3O2.C19H17N3O2/c22-19-9-5-4-8-17(19)20-18(13-23-26-20)21(25)24-11-10-16(14-24)12-15-6-2-1-3-7-15;2*21-17-8-6-15(7-9-17)19-18(12-22-25-19)20(24)23-11-10-16(13-23)14-4-2-1-3-5-14;20-16-3-1-14(2-4-16)18-17(11-22-25-18)19(24)23-10-7-15(12-23)13-5-8-21-9-6-13;2*20-16-5-3-13(4-6-16)18-17(11-22-25-18)19(24)23-9-7-15(12-23)14-2-1-8-21-10-14;23-19(17-12-21-24-18(17)15-4-2-1-3-5-15)22-11-8-16(13-22)14-6-9-20-10-7-14/h1-9,13,16H,10-12,14H2;2*1-9,12,16H,10-11,13H2;1-6,8-9,11,15H,7,10,12H2;2*1-6,8,10-11,15H,7,9,12H2;1-7,9-10,12,16H,8,11,13H2/t;;;;2*15-;/m....10./s1
InChIKeySVOLXNXOQSVXMF-RWRIDXPPSA-N
XLogP27.43
TPSA375.94 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.91
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
CID 159997752
3-[3-(4-Bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one
CID 157123250
[5-(4-Bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[2-(2-chlorophenyl)morpholin-4-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 157686742
[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 158234501
[5-(4-Bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 160702405
[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 161148379
(3-Benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 162110431
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 162248253

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 160949525) is (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1cnoc1-c1ccc(Br)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccc(F)cc1)N1CC[C@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is SVOLXNXOQSVXMF-RWRIDXPPSA-N. The full InChI is InChI=1S/C21H19ClN2O2.C20H17BrN2O2.C20H17FN2O2.3C19H16FN3O2.C19H17N3O2/c22-19-9-5-4-8-17(19)20-18(13-23-26-20)21(25)24-11-10-16(14-24)12-15-6-2-1-3-7-15;2*21-17-8-6-15(7-9-17)19-18(12-22-25-19)20(24)23-11-10-16(13-23)14-4-2-1-3-5-14;20-16-3-1-14(2-4-16)18-17(11-22-25-18)19(24)23-10-7-15(12-23)13-5-8-21-9-6-13;2*20-16-5-3-13(4-6-16)18-17(11-22-25-18)19(24)23-9-7-15(12-23)14-2-1-8-21-10-14;23-19(17-12-21-24-18(17)15-4-2-1-3-5-15)22-11-8-16(13-22)14-6-9-20-10-7-14/h1-9,13,16H,10-12,14H2;2*1-9,12,16H,10-11,13H2;1-6,8-9,11,15H,7,10,12H2;2*1-6,8,10-11,15H,7,9,12H2;1-7,9-10,12,16H,8,11,13H2/t;;;;2*15-;/m....10./s1.
What are the key properties of (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
(3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 2431.91 g/mol, XLogP of 27.43, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-1-yl)-[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 160949525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).