5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

C19H16N4O2 — CID 17014859

IUPAC5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(-n4nncc4C)cc3)cc2c1
InChIInChI=1S/C19H16N4O2/c1-12-3-8-17-14(9-12)10-18(25-17)19(24)21-15-4-6-16(7-5-15)23-13(2)11-20-22-23/h3-11H,1-2H3,(H,21,24)
InChIKeyZYUPNLZFRPSFKJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.88
Rot. Bonds3

About 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 17014859) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID17014859
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(-n4nncc4C)cc3)cc2c1
InChIInChI=1S/C19H16N4O2/c1-12-3-8-17-14(9-12)10-18(25-17)19(24)21-15-4-6-16(7-5-15)23-13(2)11-20-22-23/h3-11H,1-2H3,(H,21,24)
InChIKeyZYUPNLZFRPSFKJ-UHFFFAOYSA-N
XLogP3.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 17014859) is 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccc(-n4nncc4C)cc3)cc2c1.
What is the InChIKey of 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZYUPNLZFRPSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-3-8-17-14(9-12)10-18(25-17)19(24)21-15-4-6-16(7-5-15)23-13(2)11-20-22-23/h3-11H,1-2H3,(H,21,24).
What are the key properties of 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).