(E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide

C13H14N4O3 — CID 139377876

IUPAC(E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide
SMILESCc1nnc(NCc2cccc(/C=C/C(=O)NO)c2)o1
InChIInChI=1S/C13H14N4O3/c1-9-15-16-13(20-9)14-8-11-4-2-3-10(7-11)5-6-12(18)17-19/h2-7,19H,8H2,1H3,(H,14,16)(H,17,18)/b6-5+
InChIKeyVENGDUGFWSBFRI-AATRIKPKSA-N
MW274.28 g/mol
LogP1.51
Rot. Bonds5

About (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 139377876) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide
PubChem CID139377876
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name(E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide
SMILESCc1nnc(NCc2cccc(/C=C/C(=O)NO)c2)o1
InChIInChI=1S/C13H14N4O3/c1-9-15-16-13(20-9)14-8-11-4-2-3-10(7-11)5-6-12(18)17-19/h2-7,19H,8H2,1H3,(H,14,16)(H,17,18)/b6-5+
InChIKeyVENGDUGFWSBFRI-AATRIKPKSA-N
XLogP1.51
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

4-[[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]oxane-4-carboxylic acid
CID 173077180
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11360420
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
3-[3-[[4-[4-[(dimethylamino)methyl]phenyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 123453089
(E)-N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-phenylprop-2-enamide
CID 16917343
cyclopentyl 2-cyclohexyl-2-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]acetate
CID 126698968
N-hydroxy-3-[3-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 75226882
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 71961523
(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
CID 102036043
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
CID 71960718
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide (CID 139377876) is (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide is Cc1nnc(NCc2cccc(/C=C/C(=O)NO)c2)o1.
What is the InChIKey of (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is VENGDUGFWSBFRI-AATRIKPKSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-15-16-13(20-9)14-8-11-4-2-3-10(7-11)5-6-12(18)17-19/h2-7,19H,8H2,1H3,(H,14,16)(H,17,18)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 274.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 139377876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).