N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

C25H22F3N5O4 — CID 59381074

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3c[nH]c4cc(C(F)(F)F)ccc4c3=O)cc2)no1
InChIInChI=1S/C25H22F3N5O4/c1-24(2,3)19-11-20(33-37-19)32-23(36)31-15-7-5-14(6-8-15)30-22(35)17-12-29-18-10-13(25(26,27)28)4-9-16(18)21(17)34/h4-12H,1-3H3,(H,29,34)(H,30,35)(H2,31,32,33,36)
InChIKeyLFOVTPBDFUVHEH-UHFFFAOYSA-N
MW513.48 g/mol
LogP5.73
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 59381074) has the molecular formula C25H22F3N5O4 and a molecular weight of 513.48 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID59381074
Molecular FormulaC25H22F3N5O4
Molecular Weight513.48 g/mol
Exact Mass513.16
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3c[nH]c4cc(C(F)(F)F)ccc4c3=O)cc2)no1
InChIInChI=1S/C25H22F3N5O4/c1-24(2,3)19-11-20(33-37-19)32-23(36)31-15-7-5-14(6-8-15)30-22(35)17-12-29-18-10-13(25(26,27)28)4-9-16(18)21(17)34/h4-12H,1-3H3,(H,29,34)(H,30,35)(H2,31,32,33,36)
InChIKeyLFOVTPBDFUVHEH-UHFFFAOYSA-N
XLogP5.73
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.48
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-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-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 59381074) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3c[nH]c4cc(C(F)(F)F)ccc4c3=O)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is LFOVTPBDFUVHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O4/c1-24(2,3)19-11-20(33-37-19)32-23(36)31-15-7-5-14(6-8-15)30-22(35)17-12-29-18-10-13(25(26,27)28)4-9-16(18)21(17)34/h4-12H,1-3H3,(H,29,34)(H,30,35)(H2,31,32,33,36).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 513.48 g/mol, XLogP of 5.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 59381074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).