(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

C18H19F3N4O3 — CID 67953431

IUPAC(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cn2)on1
InChIInChI=1S/C18H19F3N4O3/c1-17(2,3)12-8-14(28-24-12)23-16(27)11-5-7-15(26)25(11)13-6-4-10(9-22-13)18(19,20)21/h4,6,8-9,11H,5,7H2,1-3H3,(H,23,27)/t11-/m0/s1
InChIKeyGGFVQUNFMXUPON-NSHDSACASA-N
MW396.37 g/mol
LogP3.52
Rot. Bonds3

About (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 67953431) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID67953431
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cn2)on1
InChIInChI=1S/C18H19F3N4O3/c1-17(2,3)12-8-14(28-24-12)23-16(27)11-5-7-15(26)25(11)13-6-4-10(9-22-13)18(19,20)21/h4,6,8-9,11H,5,7H2,1-3H3,(H,23,27)/t11-/m0/s1
InChIKeyGGFVQUNFMXUPON-NSHDSACASA-N
XLogP3.52
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 46239964
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-2-carboxamide
CID 46861579
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]azetidine-2-carboxamide
CID 49847679
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953851
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953286
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-cyano-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 67953920
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propanamide
CID 139269400
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide
CID 139269405
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
CID 139269416
US11066396, Example 380
CID 132258636
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propanamide
CID 139269307
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[6-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
CID 139269347

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 67953431) is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cn2)on1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is GGFVQUNFMXUPON-NSHDSACASA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-17(2,3)12-8-14(28-24-12)23-16(27)11-5-7-15(26)25(11)13-6-4-10(9-22-13)18(19,20)21/h4,6,8-9,11H,5,7H2,1-3H3,(H,23,27)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).