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

C17H20ClN3O2 — CID 93070304

IUPAC(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C17H20ClN3O2/c1-2-5-14-11-15(20-23-14)16-8-4-9-21(16)17(22)19-13-7-3-6-12(18)10-13/h3,6-7,10-11,16H,2,4-5,8-9H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyLOKFDLKNRADKOV-INIZCTEOSA-N
MW333.82 g/mol
LogP4.65
Rot. Bonds4

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

(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 93070304) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID93070304
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1
InChIInChI=1S/C17H20ClN3O2/c1-2-5-14-11-15(20-23-14)16-8-4-9-21(16)17(22)19-13-7-3-6-12(18)10-13/h3,6-7,10-11,16H,2,4-5,8-9H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyLOKFDLKNRADKOV-INIZCTEOSA-N
XLogP4.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,4-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079639
N-(3-fluoro-4-methylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53096403
2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 92731870
(2S)-N-(2,3-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079611
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893503
ethyl 2-[4-[[(2R)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]phenyl]acetate
CID 92732729
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
(2S)-N-(2-ethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079703
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001680
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079695
(2R)-N-cyclohexyl-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070289
(2R)-N-(2,5-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079668

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 93070304) is (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is CCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is LOKFDLKNRADKOV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-5-14-11-15(20-23-14)16-8-4-9-21(16)17(22)19-13-7-3-6-12(18)10-13/h3,6-7,10-11,16H,2,4-5,8-9H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 93070304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).