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

C15H14N4O2 — CID 56756653

IUPAC3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C15H14N4O2/c1-11-6-7-21-14(11)15(20)17-8-12-4-2-3-5-13(12)19-10-16-9-18-19/h2-7,9-10H,8H2,1H3,(H,17,20)
InChIKeyOJVOXTFRLNMSIA-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.10
Rot. Bonds4

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

3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 56756653) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID56756653
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccccc1-n1cncn1
InChIInChI=1S/C15H14N4O2/c1-11-6-7-21-14(11)15(20)17-8-12-4-2-3-5-13(12)19-10-16-9-18-19/h2-7,9-10H,8H2,1H3,(H,17,20)
InChIKeyOJVOXTFRLNMSIA-UHFFFAOYSA-N
XLogP2.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 91783113
3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 24551435
2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 72882431
2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
CID 42526249
2-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63069997
1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 91774810
(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 97136134
N'-cyclopentyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]butanediamide
CID 46995343
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 121496221
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide (CID 56756653) is 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCc1ccccc1-n1cncn1.
What is the InChIKey of 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is OJVOXTFRLNMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-6-7-21-14(11)15(20)17-8-12-4-2-3-5-13(12)19-10-16-9-18-19/h2-7,9-10H,8H2,1H3,(H,17,20).
What are the key properties of 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide?
3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 56756653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).