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

C18H22ClN3O2 — CID 67953290

IUPAC(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyBAUZVWBSZFLVIL-CQSZACIVSA-N
MW347.85 g/mol
LogP4.23
Rot. Bonds3

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

(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 67953290) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID67953290
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyBAUZVWBSZFLVIL-CQSZACIVSA-N
XLogP4.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.23
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
(S)-1-(4-chloro-phenyl)-2-methyl-pyrrolidine-2-carboxylic acid (5-tert-butyl-isoxazol-3-yl)-amide
CID 67455563
(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)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
(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-(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide (CID 67953290) is (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(Cl)cc2)no1.
What is the InChIKey of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is BAUZVWBSZFLVIL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide?
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).