(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide

C15H13ClF3N3O2 — CID 46843504

IUPAC(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)co1)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3N3O2/c16-9-3-5-10(6-4-9)22-7-1-2-11(22)13(23)21-14-20-12(8-24-14)15(17,18)19/h3-6,8,11H,1-2,7H2,(H,20,21,23)/t11-/m0/s1
InChIKeyYAOHRLBHJOPLRN-NSHDSACASA-N
MW359.74 g/mol
LogP3.95
Rot. Bonds3

About (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 46843504) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID46843504
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC Name(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)co1)[C@@H]1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3N3O2/c16-9-3-5-10(6-4-9)22-7-1-2-11(22)13(23)21-14-20-12(8-24-14)15(17,18)19/h3-6,8,11H,1-2,7H2,(H,20,21,23)/t11-/m0/s1
InChIKeyYAOHRLBHJOPLRN-NSHDSACASA-N
XLogP3.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 75218836
(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 88530997
(2S)-N-(4-tert-butylcyclohexyl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 46844122
(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46843133
(2S)-1-(4-chlorophenyl)-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 46843940
1-(4-chlorophenyl)-N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 75218781
(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46843430
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide
CID 154786220
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 75218553

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide (CID 46843504) is (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1nc(C(F)(F)F)co1)[C@@H]1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is YAOHRLBHJOPLRN-NSHDSACASA-N. The full InChI is InChI=1S/C15H13ClF3N3O2/c16-9-3-5-10(6-4-9)22-7-1-2-11(22)13(23)21-14-20-12(8-24-14)15(17,18)19/h3-6,8,11H,1-2,7H2,(H,20,21,23)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 359.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46843504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).