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

C19H18N4O3 — CID 67366187

IUPAC(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2ncc(NC(=O)/C=C\c3cccc(C)c3)n2)o1
InChIInChI=1S/C19H18N4O3/c1-13-4-3-5-15(10-13)6-9-19(25)21-18-11-20-23(22-18)12-16-7-8-17(26-16)14(2)24/h3-11H,12H2,1-2H3,(H,21,22,25)/b9-6-
InChIKeyVNICTGRYLFRPFZ-TWGQIWQCSA-N
MW350.38 g/mol
LogP3.08
Rot. Bonds6

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

(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 67366187) 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-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID67366187
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide
SMILESCC(=O)c1ccc(Cn2ncc(NC(=O)/C=C\c3cccc(C)c3)n2)o1
InChIInChI=1S/C19H18N4O3/c1-13-4-3-5-15(10-13)6-9-19(25)21-18-11-20-23(22-18)12-16-7-8-17(26-16)14(2)24/h3-11H,12H2,1-2H3,(H,21,22,25)/b9-6-
InChIKeyVNICTGRYLFRPFZ-TWGQIWQCSA-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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Related Compounds

(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(2-methylphenyl)prop-2-enamide
CID 67364118
(E)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 42645324
(E)-3-(3-methylphenyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]prop-2-enamide
CID 159880450
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 66929064
3-[3-(3-methylphenyl)prop-2-enoylamino]-1H-pyrazole-5-carboxylic acid
CID 78996490
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
CID 66928421
(E)-3-(3-methylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 51306257
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 66928566
(E)-3-(3-methylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)prop-2-enamide
CID 112691304
(E)-3-(3-methylphenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 46457220

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide (CID 67366187) is (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide is CC(=O)c1ccc(Cn2ncc(NC(=O)/C=C\c3cccc(C)c3)n2)o1.
What is the InChIKey of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is VNICTGRYLFRPFZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-4-3-5-15(10-13)6-9-19(25)21-18-11-20-23(22-18)12-16-7-8-17(26-16)14(2)24/h3-11H,12H2,1-2H3,(H,21,22,25)/b9-6-.
What are the key properties of (Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-methylphenyl)prop-2-enamide?
(Z)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-(3-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-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 67366187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).