(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C19H22F3N3O2 — CID 67953838

IUPAC(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m1/s1
InChIKeyYGFQBPYOYXCHSZ-CQSZACIVSA-N
MW381.40 g/mol
LogP4.60
Rot. Bonds3

About (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 67953838) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID67953838
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m1/s1
InChIKeyYGFQBPYOYXCHSZ-CQSZACIVSA-N
XLogP4.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
5-[(5-methyl-3-isoxazolyl)amino]-2-phenyl-5-(trifluoromethyl)-1,5-dihydro-4H-imidazol-4-one
CID 2962149
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46843432
(2S)-1-benzoyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46872383
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 67953290
N-(1-Cyclohexylcarbamoyl-cyclopentyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
CID 648879
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-benzyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 649526

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 67953838) is (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YGFQBPYOYXCHSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m1/s1.
What are the key properties of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 4.60, 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-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).