(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide

C19H24ClN3O2 — CID 67455563

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H24ClN3O2/c1-18(2,3)15-12-16(22-25-15)21-17(24)19(4)10-5-11-23(19)14-8-6-13(20)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,24)/t19-/m0/s1
InChIKeyQIGKNCJASZEQPS-IBGZPJMESA-N
MW361.87 g/mol
LogP4.62
Rot. Bonds3

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 67455563) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID67455563
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H24ClN3O2/c1-18(2,3)15-12-16(22-25-15)21-17(24)19(4)10-5-11-23(19)14-8-6-13(20)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,24)/t19-/m0/s1
InChIKeyQIGKNCJASZEQPS-IBGZPJMESA-N
XLogP4.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)piperidine-2-carboxamide
CID 46873203
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 67953283
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953287
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953837
1-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160150
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46843432
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-chlorophenyl)methyl]piperidine-2-carboxamide
CID 46873412
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 67953290
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953838
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-6-oxopiperidine-2-carboxamide
CID 70865026
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorobenzoyl)piperidine-2-carboxamide
CID 70865325
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 683178

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide (CID 67455563) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(Cl)cc2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is QIGKNCJASZEQPS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-18(2,3)15-12-16(22-25-15)21-17(24)19(4)10-5-11-23(19)14-8-6-13(20)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,24)/t19-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67455563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).