N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C23H19F3N4O3 — CID 59212325

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3nc(C)oc3C(F)(F)F)ccc1C)c(=O)n2C
InChIInChI=1S/C23H19F3N4O3/c1-11-5-6-15(29-21(31)19-20(23(24,25)26)33-13(3)28-19)9-16(11)17-8-14-10-27-12(2)7-18(14)30(4)22(17)32/h5-10H,1-4H3,(H,29,31)
InChIKeyPJWBBTRTYWASKP-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.78
Rot. Bonds3

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 59212325) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID59212325
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3nc(C)oc3C(F)(F)F)ccc1C)c(=O)n2C
InChIInChI=1S/C23H19F3N4O3/c1-11-5-6-15(29-21(31)19-20(23(24,25)26)33-13(3)28-19)9-16(11)17-8-14-10-27-12(2)7-18(14)30(4)22(17)32/h5-10H,1-4H3,(H,29,31)
InChIKeyPJWBBTRTYWASKP-UHFFFAOYSA-N
XLogP4.78
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-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 N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 59212325) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3nc(C)oc3C(F)(F)F)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PJWBBTRTYWASKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-11-5-6-15(29-21(31)19-20(23(24,25)26)33-13(3)28-19)9-16(11)17-8-14-10-27-12(2)7-18(14)30(4)22(17)32/h5-10H,1-4H3,(H,29,31).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 456.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59212325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).