(E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide

C15H13N5O2 — CID 75361889

IUPAC(E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide
SMILESCn1ccnc1-c1noc(NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C15H13N5O2/c1-20-10-9-16-14(20)13-18-15(22-19-13)17-12(21)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,21)/b8-7+
InChIKeyGUSDSQUHLGTEID-BQYQJAHWSA-N
MW295.30 g/mol
LogP2.12
Rot. Bonds4

About (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide

(E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide (PubChem CID 75361889) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide
PubChem CID75361889
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name(E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide
SMILESCn1ccnc1-c1noc(NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C15H13N5O2/c1-20-10-9-16-14(20)13-18-15(22-19-13)17-12(21)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,21)/b8-7+
InChIKeyGUSDSQUHLGTEID-BQYQJAHWSA-N
XLogP2.12
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.12
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 (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide (CID 75361889) is (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide is Cn1ccnc1-c1noc(NC(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide?
The InChIKey is GUSDSQUHLGTEID-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-20-10-9-16-14(20)13-18-15(22-19-13)17-12(21)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,21)/b8-7+.
What are the key properties of (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide?
(E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide has a molecular weight of 295.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 75361889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).