4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide

C21H15F3N4O3 — CID 45255145

IUPAC4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cccc2c(=O)n(C)c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H15F3N4O3/c1-11-17(31-10-25-11)19(29)26-15-8-4-7-14-16(15)27-18(28(2)20(14)30)12-5-3-6-13(9-12)21(22,23)24/h3-10H,1-2H3,(H,26,29)
InChIKeyIHLKYXZTSYIFES-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.17
Rot. Bonds3

About 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide

4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide (PubChem CID 45255145) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
PubChem CID45255145
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC Name4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cccc2c(=O)n(C)c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H15F3N4O3/c1-11-17(31-10-25-11)19(29)26-15-8-4-7-14-16(15)27-18(28(2)20(14)30)12-5-3-6-13(9-12)21(22,23)24/h3-10H,1-2H3,(H,26,29)
InChIKeyIHLKYXZTSYIFES-UHFFFAOYSA-N
XLogP4.17
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide (CID 45255145) is 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1cccc2c(=O)n(C)c(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is IHLKYXZTSYIFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c1-11-17(31-10-25-11)19(29)26-15-8-4-7-14-16(15)27-18(28(2)20(14)30)12-5-3-6-13(9-12)21(22,23)24/h3-10H,1-2H3,(H,26,29).
What are the key properties of 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45255145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).