N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C15H15F3N4O2 — CID 126815325

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1nc(-c2cc(NC(=O)C3CCCO3)cc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C15H15F3N4O2/c1-8-19-13(22-21-8)9-5-10(15(16,17)18)7-11(6-9)20-14(23)12-3-2-4-24-12/h5-7,12H,2-4H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyAZCMEKKOJCZOJU-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.92
Rot. Bonds3

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 126815325) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID126815325
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1nc(-c2cc(NC(=O)C3CCCO3)cc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C15H15F3N4O2/c1-8-19-13(22-21-8)9-5-10(15(16,17)18)7-11(6-9)20-14(23)12-3-2-4-24-12/h5-7,12H,2-4H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyAZCMEKKOJCZOJU-UHFFFAOYSA-N
XLogP2.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6R)-6-methyl-1-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 166336385
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 126832007
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
CID 40791461
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95571029
N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 72897351

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 126815325) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide is Cc1nc(-c2cc(NC(=O)C3CCCO3)cc(C(F)(F)F)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is AZCMEKKOJCZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-8-19-13(22-21-8)9-5-10(15(16,17)18)7-11(6-9)20-14(23)12-3-2-4-24-12/h5-7,12H,2-4H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 126815325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).