5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide

C25H26F3N5O3 — CID 122189916

IUPAC5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)ccc1NC(=O)c1cnoc1C
InChIInChI=1S/C25H26F3N5O3/c1-15-10-19(4-5-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-11-18(25(26,27)28)13-20(12-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyPXBSCEKTPJMTED-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.57
Rot. Bonds5

About 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189916) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189916
Molecular FormulaC25H26F3N5O3
Molecular Weight501.51 g/mol
Exact Mass501.20
IUPAC Name5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)ccc1NC(=O)c1cnoc1C
InChIInChI=1S/C25H26F3N5O3/c1-15-10-19(4-5-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-11-18(25(26,27)28)13-20(12-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyPXBSCEKTPJMTED-UHFFFAOYSA-N
XLogP4.57
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-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 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189916) is 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)ccc1NC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is PXBSCEKTPJMTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3/c1-15-10-19(4-5-22(15)31-24(35)21-14-29-36-16(21)2)30-23(34)17-11-18(25(26,27)28)13-20(12-17)33-8-6-32(3)7-9-33/h4-5,10-14H,6-9H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).