(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C19H24ClN3O4 — CID 95079695

IUPAC(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)no1
InChIInChI=1S/C19H24ClN3O4/c1-4-6-12-9-14(22-27-12)16-7-5-8-23(16)19(24)21-15-10-13(20)17(25-2)11-18(15)26-3/h9-11,16H,4-8H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyMPHBARQVMIZYLK-INIZCTEOSA-N
MW393.87 g/mol
LogP4.67
Rot. Bonds6

About (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 95079695) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID95079695
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)no1
InChIInChI=1S/C19H24ClN3O4/c1-4-6-12-9-14(22-27-12)16-7-5-8-23(16)19(24)21-15-10-13(20)17(25-2)11-18(15)26-3/h9-11,16H,4-8H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyMPHBARQVMIZYLK-INIZCTEOSA-N
XLogP4.67
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001680
(2R)-N-(2,5-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079668
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070319
(2S)-N-(2-ethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079703
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070315
(2S)-N-(2,3-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079611
(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070304
(2S)-N-(3,4-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079639
(2R)-N-cyclohexyl-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070289
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
2-(3,4-dimethoxyphenyl)-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 22586753
N-(3-fluoro-4-methylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53096403

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 95079695) is (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is CCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)no1.
What is the InChIKey of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is MPHBARQVMIZYLK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-4-6-12-9-14(22-27-12)16-7-5-8-23(16)19(24)21-15-10-13(20)17(25-2)11-18(15)26-3/h9-11,16H,4-8H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95079695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).