(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide

C17H15N3O2 — CID 170647943

IUPAC(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(cnn2Cc2ccccc2)c1)NO
InChIInChI=1S/C17H15N3O2/c21-17(19-22)9-7-13-6-8-16-15(10-13)11-18-20(16)12-14-4-2-1-3-5-14/h1-11,22H,12H2,(H,19,21)/b9-7+
InChIKeyNOAHATXVYNUZMJ-VQHVLOKHSA-N
MW293.33 g/mol
LogP2.60
Rot. Bonds4

About (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide

(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide (PubChem CID 170647943) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
PubChem CID170647943
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(cnn2Cc2ccccc2)c1)NO
InChIInChI=1S/C17H15N3O2/c21-17(19-22)9-7-13-6-8-16-15(10-13)11-18-20(16)12-14-4-2-1-3-5-14/h1-11,22H,12H2,(H,19,21)/b9-7+
InChIKeyNOAHATXVYNUZMJ-VQHVLOKHSA-N
XLogP2.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[1-[(4-chlorophenyl)methyl]indazol-5-yl]-N-hydroxyprop-2-enamide
CID 170647940
(E)-3-(2-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647942
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-3-[1-(1-benzylpiperidin-4-yl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 11751988
(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11186705
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
CID 7589756
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide
CID 72772160
(E)-N-hydroxy-3-(2-phenylmethoxy-1-pyrrolidin-1-ylbenzimidazol-5-yl)prop-2-enamide
CID 118116502
(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide
CID 11857024
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]prop-2-enamide
CID 11750273

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide (CID 170647943) is (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(cnn2Cc2ccccc2)c1)NO.
What is the InChIKey of (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide?
The InChIKey is NOAHATXVYNUZMJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(19-22)9-7-13-6-8-16-15(10-13)11-18-20(16)12-14-4-2-1-3-5-14/h1-11,22H,12H2,(H,19,21)/b9-7+.
What are the key properties of (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide?
(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 170647943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).