(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide

C19H18N4O3 — CID 67364118

IUPAC(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2ncc(NC(=O)/C=C\c3ccccc3C)n2)o1
InChIInChI=1S/C19H18N4O3/c1-13-5-3-4-6-15(13)7-10-19(25)21-18-11-20-23(22-18)12-16-8-9-17(26-16)14(2)24/h3-11H,12H2,1-2H3,(H,21,22,25)/b10-7-
InChIKeyPQZSFAJCIUNCJF-YFHOEESVSA-N
MW350.38 g/mol
LogP3.08
Rot. Bonds6

About (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide

(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide (PubChem CID 67364118) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide
PubChem CID67364118
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2ncc(NC(=O)/C=C\c3ccccc3C)n2)o1
InChIInChI=1S/C19H18N4O3/c1-13-5-3-4-6-15(13)7-10-19(25)21-18-11-20-23(22-18)12-16-8-9-17(26-16)14(2)24/h3-11H,12H2,1-2H3,(H,21,22,25)/b10-7-
InChIKeyPQZSFAJCIUNCJF-YFHOEESVSA-N
XLogP3.08
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide (CID 67364118) is (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide is CC(=O)c1ccc(Cn2ncc(NC(=O)/C=C\c3ccccc3C)n2)o1.
What is the InChIKey of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is PQZSFAJCIUNCJF-YFHOEESVSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-5-3-4-6-15(13)7-10-19(25)21-18-11-20-23(22-18)12-16-8-9-17(26-16)14(2)24/h3-11H,12H2,1-2H3,(H,21,22,25)/b10-7-.
What are the key properties of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide?
(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 350.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 67364118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).