N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

C19H22N4O3 — CID 55650551

IUPACN-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NC(C)CCc3ccco3)c2C)c1
InChIInChI=1S/C19H22N4O3/c1-13(9-10-16-8-5-11-26-16)20-19(24)18-14(2)23(22-21-18)15-6-4-7-17(12-15)25-3/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)
InChIKeyPLBIRZGEYPDZFT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.93
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 55650551) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID55650551
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NC(C)CCc3ccco3)c2C)c1
InChIInChI=1S/C19H22N4O3/c1-13(9-10-16-8-5-11-26-16)20-19(24)18-14(2)23(22-21-18)15-6-4-7-17(12-15)25-3/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)
InChIKeyPLBIRZGEYPDZFT-UHFFFAOYSA-N
XLogP2.93
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-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

N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 55668006
1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
CID 35265921
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55939904
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55933626
N-[1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 86941660
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55777633
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55807505
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55798793

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 55650551) is N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)NC(C)CCc3ccco3)c2C)c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is PLBIRZGEYPDZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(9-10-16-8-5-11-26-16)20-19(24)18-14(2)23(22-21-18)15-6-4-7-17(12-15)25-3/h4-8,11-13H,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 55650551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).