2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

C17H13F3N4O3 — CID 136982912

IUPAC2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O3/c1-9(10-2-4-11(5-3-10)17(18,19)20)22-15(26)12-8-13(25)24-14(23-12)16-21-6-7-27-16/h2-9H,1H3,(H,22,26)(H,23,24,25)/t9-/m1/s1
InChIKeyRUHLTOSZQTYUTR-SECBINFHSA-N
MW378.31 g/mol
LogP2.93
Rot. Bonds4

About 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136982912) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID136982912
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC Name2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O3/c1-9(10-2-4-11(5-3-10)17(18,19)20)22-15(26)12-8-13(25)24-14(23-12)16-21-6-7-27-16/h2-9H,1H3,(H,22,26)(H,23,24,25)/t9-/m1/s1
InChIKeyRUHLTOSZQTYUTR-SECBINFHSA-N
XLogP2.93
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (CID 136982912) is 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is RUHLTOSZQTYUTR-SECBINFHSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c1-9(10-2-4-11(5-3-10)17(18,19)20)22-15(26)12-8-13(25)24-14(23-12)16-21-6-7-27-16/h2-9H,1H3,(H,22,26)(H,23,24,25)/t9-/m1/s1.
What are the key properties of 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).