(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

C16H18ClN3O2 — CID 92894227

IUPAC(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(11(2)22-19-10)14-4-3-9-20(14)16(21)18-13-7-5-12(17)6-8-13/h5-8,14H,3-4,9H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyVUOQRRSEXQLNSW-AWEZNQCLSA-N
MW319.79 g/mol
LogP4.31
Rot. Bonds2

About (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 92894227) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID92894227
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(11(2)22-19-10)14-4-3-9-20(14)16(21)18-13-7-5-12(17)6-8-13/h5-8,14H,3-4,9H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyVUOQRRSEXQLNSW-AWEZNQCLSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894249
(2S)-N-(2-bromophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894253
N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001088
N-(4-bromophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808695
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
CID 95052097
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 97278650

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 92894227) is (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is Cc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is VUOQRRSEXQLNSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-15(11(2)22-19-10)14-4-3-9-20(14)16(21)18-13-7-5-12(17)6-8-13/h5-8,14H,3-4,9H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 92894227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).