N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide

C21H18N4O3 — CID 1029171

IUPACN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccco3)cc2)n1
InChIInChI=1S/C21H18N4O3/c1-14-6-3-4-7-17(14)19-23-21(27-2)24-25(19)16-11-9-15(10-12-16)22-20(26)18-8-5-13-28-18/h3-13H,1-2H3,(H,22,26)
InChIKeyFURCQRNUJZHUQJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.10
Rot. Bonds5

About N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide

N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 1029171) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
PubChem CID1029171
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccco3)cc2)n1
InChIInChI=1S/C21H18N4O3/c1-14-6-3-4-7-17(14)19-23-21(27-2)24-25(19)16-11-9-15(10-12-16)22-20(26)18-8-5-13-28-18/h3-13H,1-2H3,(H,22,26)
InChIKeyFURCQRNUJZHUQJ-UHFFFAOYSA-N
XLogP4.10
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
CID 1029164
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
CID 1029177
N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
CID 1027040
2,6-dimethoxy-N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1029329
3,5-dimethoxy-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 4049573
2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
CID 42778412
4-ethyl-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]benzamide
CID 42778395
2-bromo-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]benzamide
CID 46124548
4-chloro-N-[4-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]benzamide
CID 42665230
N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
CID 1029301
2-chloro-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 4173586
N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-4-fluorobenzamide
CID 1029250

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide (CID 1029171) is N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide is COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccco3)cc2)n1.
What is the InChIKey of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is FURCQRNUJZHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-6-3-4-7-17(14)19-23-21(27-2)24-25(19)16-11-9-15(10-12-16)22-20(26)18-8-5-13-28-18/h3-13H,1-2H3,(H,22,26).
What are the key properties of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide?
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1029171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).