1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

C16H19FN4O2 — CID 53333415

IUPAC1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1c(F)cccc1-n1nnc(C(=O)NCC2CCCO2)c1C
InChIInChI=1S/C16H19FN4O2/c1-10-13(17)6-3-7-14(10)21-11(2)15(19-20-21)16(22)18-9-12-5-4-8-23-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,18,22)
InChIKeyQJRKZUJEXSFRDR-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.93
Rot. Bonds4

About 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 53333415) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID53333415
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCc1c(F)cccc1-n1nnc(C(=O)NCC2CCCO2)c1C
InChIInChI=1S/C16H19FN4O2/c1-10-13(17)6-3-7-14(10)21-11(2)15(19-20-21)16(22)18-9-12-5-4-8-23-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,18,22)
InChIKeyQJRKZUJEXSFRDR-UHFFFAOYSA-N
XLogP1.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95303432
5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442589
1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475
2-(2-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazine-6-carboxamide
CID 93158812
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
CID 53333518
5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide
CID 135405829
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003806
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
1-[(1S)-1-(2-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443007
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 172880485

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 53333415) is 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is Cc1c(F)cccc1-n1nnc(C(=O)NCC2CCCO2)c1C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is QJRKZUJEXSFRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-13(17)6-3-7-14(10)21-11(2)15(19-20-21)16(22)18-9-12-5-4-8-23-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,18,22).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 53333415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).