(2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol

C25H26ClN3O3 — CID 93178427

IUPAC(2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCc1ccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-18-9-10-20(15-23(18)26)25-27-24(32-28-25)11-12-29(17-22-8-5-13-31-22)16-21(30)14-19-6-3-2-4-7-19/h2-10,13,15,21,30H,11-12,14,16-17H2,1H3/t21-/m1/s1
InChIKeyMUCKMUWHYFDMFZ-OAQYLSRUSA-N
MW451.95 g/mol
LogP4.94
Rot. Bonds10

About (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol

(2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol (PubChem CID 93178427) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol
PubChem CID93178427
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name(2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCc1ccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-18-9-10-20(15-23(18)26)25-27-24(32-28-25)11-12-29(17-22-8-5-13-31-22)16-21(30)14-19-6-3-2-4-7-19/h2-10,13,15,21,30H,11-12,14,16-17H2,1H3/t21-/m1/s1
InChIKeyMUCKMUWHYFDMFZ-OAQYLSRUSA-N
XLogP4.94
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 83277255
(2R)-1-[furan-2-ylmethyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93178462
N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 83277254
N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-3-nitrobenzamide
CID 83277253
[3-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 46015539
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 81491862
(2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol
CID 93181416
2-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]phenol
CID 78820943
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 55571234
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
1-[benzyl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol
CID 46015533
(2S)-1-[benzyl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propan-2-ol
CID 93181629

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol (CID 93178427) is (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol is Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1Cl.
What is the InChIKey of (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is MUCKMUWHYFDMFZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-18-9-10-20(15-23(18)26)25-27-24(32-28-25)11-12-29(17-22-8-5-13-31-22)16-21(30)14-19-6-3-2-4-7-19/h2-10,13,15,21,30H,11-12,14,16-17H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol?
(2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 451.95 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl-(furan-2-ylmethyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 93178427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).