N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C19H18N4O3 — CID 51120679

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ncn(Cc3ccccc3)n2)oc2c1C(=O)CCC2
InChIInChI=1S/C19H18N4O3/c1-12-16-14(24)8-5-9-15(16)26-17(12)18(25)21-19-20-11-23(22-19)10-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,22,25)
InChIKeyGWEGOPGWKLLMLE-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.00
Rot. Bonds4

About N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 51120679) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID51120679
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ncn(Cc3ccccc3)n2)oc2c1C(=O)CCC2
InChIInChI=1S/C19H18N4O3/c1-12-16-14(24)8-5-9-15(16)26-17(12)18(25)21-19-20-11-23(22-19)10-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,22,25)
InChIKeyGWEGOPGWKLLMLE-UHFFFAOYSA-N
XLogP3.00
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240889
3-[4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]phenyl]propanoic acid
CID 71915468
3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 147344591
N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 51084344
5-[[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246315
3-methyl-4-oxo-N-(1H-pyrazol-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 60506878
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 167942849
2-methyl-3-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119237686
2-[4-[2-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255997
N-(2-acetamidoethyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 47232987
(2S)-N-(1-benzyl-1,2,4-triazol-3-yl)-2-methylbutanamide
CID 94221424

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 51120679) is N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ncn(Cc3ccccc3)n2)oc2c1C(=O)CCC2.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is GWEGOPGWKLLMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-16-14(24)8-5-9-15(16)26-17(12)18(25)21-19-20-11-23(22-19)10-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,22,25).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51120679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).