2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

C18H15F3N4O3 — CID 136982902

IUPAC2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)o1
InChIInChI=1S/C18H15F3N4O3/c1-9-8-22-17(28-9)15-24-13(7-14(26)25-15)16(27)23-10(2)11-3-5-12(6-4-11)18(19,20)21/h3-8,10H,1-2H3,(H,23,27)(H,24,25,26)/t10-/m1/s1
InChIKeyONCHVABCDXZGDR-SNVBAGLBSA-N
MW392.34 g/mol
LogP3.24
Rot. Bonds4

About 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136982902) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID136982902
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)o1
InChIInChI=1S/C18H15F3N4O3/c1-9-8-22-17(28-9)15-24-13(7-14(26)25-15)16(27)23-10(2)11-3-5-12(6-4-11)18(19,20)21/h3-8,10H,1-2H3,(H,23,27)(H,24,25,26)/t10-/m1/s1
InChIKeyONCHVABCDXZGDR-SNVBAGLBSA-N
XLogP3.24
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-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-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (CID 136982902) is 2-(5-methyl-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-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is Cc1cnc(-c2nc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)o1.
What is the InChIKey of 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is ONCHVABCDXZGDR-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-9-8-22-17(28-9)15-24-13(7-14(26)25-15)16(27)23-10(2)11-3-5-12(6-4-11)18(19,20)21/h3-8,10H,1-2H3,(H,23,27)(H,24,25,26)/t10-/m1/s1.
What are the key properties of 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).