(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

C17H20ClN3O2 — CID 92894249

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1c(C)noc1C
InChIInChI=1S/C17H20ClN3O2/c1-10-6-7-13(18)9-14(10)19-17(22)21-8-4-5-15(21)16-11(2)20-23-12(16)3/h6-7,9,15H,4-5,8H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyQCIBWJDOZBMBKY-OAHLLOKOSA-N
MW333.82 g/mol
LogP4.62
Rot. Bonds2

About (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 92894249) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID92894249
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1c(C)noc1C
InChIInChI=1S/C17H20ClN3O2/c1-10-6-7-13(18)9-14(10)19-17(22)21-8-4-5-15(21)16-11(2)20-23-12(16)3/h6-7,9,15H,4-5,8H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyQCIBWJDOZBMBKY-OAHLLOKOSA-N
XLogP4.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.62
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
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894227
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
(2S)-N-(2-bromophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894253
N-(5-chloro-2-methylphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206190
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
CID 95052097
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95052032
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289
5-[(2S)-1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]-N-(3,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95071044

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 92894249) is (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1c(C)noc1C.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is QCIBWJDOZBMBKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-10-6-7-13(18)9-14(10)19-17(22)21-8-4-5-15(21)16-11(2)20-23-12(16)3/h6-7,9,15H,4-5,8H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 92894249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).