5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide

C18H14N4O2 — CID 129431951

IUPAC5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NN=C/C=C\c1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H14N4O2/c23-16(20-19-13-7-10-14-8-3-1-4-9-14)18-22-21-17(24-18)15-11-5-2-6-12-15/h1-13H,(H,20,23)/b10-7-,19-13?
InChIKeyBUYZBOIYIRPODF-MELGKKFQSA-N
MW318.34 g/mol
LogP3.17
Rot. Bonds5

About 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide

5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 129431951) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide
PubChem CID129431951
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NN=C/C=C\c1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H14N4O2/c23-16(20-19-13-7-10-14-8-3-1-4-9-14)18-22-21-17(24-18)15-11-5-2-6-12-15/h1-13H,(H,20,23)/b10-7-,19-13?
InChIKeyBUYZBOIYIRPODF-MELGKKFQSA-N
XLogP3.17
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
1,3-bis(cinnamylideneamino)urea
CID 2823909
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide
CID 16745878
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
CID 96889885
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 3378020
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide (CID 129431951) is 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide is O=C(NN=C/C=C\c1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BUYZBOIYIRPODF-MELGKKFQSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-16(20-19-13-7-10-14-8-3-1-4-9-14)18-22-21-17(24-18)15-11-5-2-6-12-15/h1-13H,(H,20,23)/b10-7-,19-13?.
What are the key properties of 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide?
5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 129431951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).