1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide

C15H12F3N5O3 — CID 156583926

IUPAC1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCc1noc(NC(=O)c2nn(C)c(=O)[nH]2)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N5O3/c1-7-10(8-4-3-5-9(6-8)15(16,17)18)13(26-22-7)20-12(24)11-19-14(25)23(2)21-11/h3-6H,1-2H3,(H,20,24)(H,19,21,25)
InChIKeyFZXBXVHQHJWIQY-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.34
Rot. Bonds3

About 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide

1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 156583926) has the molecular formula C15H12F3N5O3 and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID156583926
Molecular FormulaC15H12F3N5O3
Molecular Weight367.29 g/mol
Exact Mass367.09
IUPAC Name1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCc1noc(NC(=O)c2nn(C)c(=O)[nH]2)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N5O3/c1-7-10(8-4-3-5-9(6-8)15(16,17)18)13(26-22-7)20-12(24)11-19-14(25)23(2)21-11/h3-6H,1-2H3,(H,20,24)(H,19,21,25)
InChIKeyFZXBXVHQHJWIQY-UHFFFAOYSA-N
XLogP2.34
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-methyl-N-pyrrolidin-3-yl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119451225
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CID 119501530
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
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CID 10682335
2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 13035548
5-[3-methyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740227
N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 6471602
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 156583926) is 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cc1noc(NC(=O)c2nn(C)c(=O)[nH]2)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is FZXBXVHQHJWIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O3/c1-7-10(8-4-3-5-9(6-8)15(16,17)18)13(26-22-7)20-12(24)11-19-14(25)23(2)21-11/h3-6H,1-2H3,(H,20,24)(H,19,21,25).
What are the key properties of 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide?
1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 156583926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).