3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C19H18N4O2 — CID 119050710

IUPAC3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)Nc1nc(-c2ccccc2)nn1C
InChIInChI=1S/C19H18N4O2/c1-12-14-10-6-7-11-15(14)25-16(12)18(24)21-19-20-17(22-23(19)2)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,20,21,22,24)
InChIKeyGLYGRQNARJFGIN-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.99
Rot. Bonds3

About 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 119050710) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID119050710
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)Nc1nc(-c2ccccc2)nn1C
InChIInChI=1S/C19H18N4O2/c1-12-14-10-6-7-11-15(14)25-16(12)18(24)21-19-20-17(22-23(19)2)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,20,21,22,24)
InChIKeyGLYGRQNARJFGIN-UHFFFAOYSA-N
XLogP2.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119032993
(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565914
(2R,3R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565913
N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 100643827
N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111471606
(2S,3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96824698
(2R,3S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 99578209
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 100850627
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 86789667
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95771104
(2S,3S)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7246479
(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 86787087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 119050710) is 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC1c2ccccc2OC1C(=O)Nc1nc(-c2ccccc2)nn1C.
What is the InChIKey of 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GLYGRQNARJFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-14-10-6-7-11-15(14)25-16(12)18(24)21-19-20-17(22-23(19)2)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,20,21,22,24).
What are the key properties of 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119050710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).