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

C24H20F3N5O3 — CID 122189932

IUPAC5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)c4cnoc4C)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H20F3N5O3/c1-13-4-5-18(9-21(13)31-23(34)20-10-29-35-15(20)3)30-22(33)16-6-17(24(25,26)27)8-19(7-16)32-11-14(2)28-12-32/h4-12H,1-3H3,(H,30,33)(H,31,34)
InChIKeyXCTNNCQFUBLOLX-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.31
Rot. Bonds5

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

5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189932) 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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189932
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)c4cnoc4C)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H20F3N5O3/c1-13-4-5-18(9-21(13)31-23(34)20-10-29-35-15(20)3)30-22(33)16-6-17(24(25,26)27)8-19(7-16)32-11-14(2)28-12-32/h4-12H,1-3H3,(H,30,33)(H,31,34)
InChIKeyXCTNNCQFUBLOLX-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189932) is 5-methyl-N-[2-methyl-5-[[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)c4cnoc4C)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XCTNNCQFUBLOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-13-4-5-18(9-21(13)31-23(34)20-10-29-35-15(20)3)30-22(33)16-6-17(24(25,26)27)8-19(7-16)32-11-14(2)28-12-32/h4-12H,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 5-methyl-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-5-[[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).