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

C24H20F3N5O3 — CID 122189930

IUPAC5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C24H20F3N5O3/c1-13-4-5-18(11-21(13)31-23(34)20-12-29-35-14(20)2)30-22(33)16-8-17(24(25,26)27)10-19(9-16)32-7-6-28-15(32)3/h4-12H,1-3H3,(H,30,33)(H,31,34)
InChIKeyPJNHMZBNLPHVJX-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.31
Rot. Bonds5

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

5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189930) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189930
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C24H20F3N5O3/c1-13-4-5-18(11-21(13)31-23(34)20-12-29-35-14(20)2)30-22(33)16-8-17(24(25,26)27)10-19(9-16)32-7-6-28-15(32)3/h4-12H,1-3H3,(H,30,33)(H,31,34)
InChIKeyPJNHMZBNLPHVJX-UHFFFAOYSA-N
XLogP5.31
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189930) is 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is PJNHMZBNLPHVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-13-4-5-18(11-21(13)31-23(34)20-12-29-35-14(20)2)30-22(33)16-8-17(24(25,26)27)10-19(9-16)32-7-6-28-15(32)3/h4-12H,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 5.31, 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-5-[[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).