[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone

C21H19ClN2O3 — CID 51611901

IUPAC[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3Cl)on2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-26-15-10-8-14(9-11-15)18-13-20(27-23-18)21(25)24-12-4-7-19(24)16-5-2-3-6-17(16)22/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3/t19-/m0/s1
InChIKeyGZDALJGXUFNSHZ-IBGZPJMESA-N
MW382.85 g/mol
LogP4.98
Rot. Bonds4

About [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone

[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 51611901) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
PubChem CID51611901
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3Cl)on2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-26-15-10-8-14(9-11-15)18-13-20(27-23-18)21(25)24-12-4-7-19(24)16-5-2-3-6-17(16)22/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3/t19-/m0/s1
InChIKeyGZDALJGXUFNSHZ-IBGZPJMESA-N
XLogP4.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone with MolForge

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Related Compounds

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51612927
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92736273
[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 166659086
[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110120704
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46266441
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731587
1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 94080739
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]methanone
CID 118111663
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 92628344

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone (CID 51611901) is [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3Cl)on2)cc1.
What is the InChIKey of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is GZDALJGXUFNSHZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-26-15-10-8-14(9-11-15)18-13-20(27-23-18)21(25)24-12-4-7-19(24)16-5-2-3-6-17(16)22/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 382.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 51611901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).