N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide

C19H14N4O3 — CID 76511800

IUPACN-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H14N4O3/c1-25-16-9-7-13(8-10-16)11-15(12-20)18-22-23-19(26-18)21-17(24)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,23,24)
InChIKeyWMHJQVQCBDYHKU-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.39
Rot. Bonds5

About N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide

N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 76511800) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID76511800
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC NameN-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H14N4O3/c1-25-16-9-7-13(8-10-16)11-15(12-20)18-22-23-19(26-18)21-17(24)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,23,24)
InChIKeyWMHJQVQCBDYHKU-UHFFFAOYSA-N
XLogP3.39
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 3,4-dimethoxybenzoate
CID 39112650
N-[5-[(E)-cyano-(3,4-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 57327775
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
CID 132937795
(Z)-2-[4-[(Z)-1-cyano-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(N-(4-methoxyphenyl)anilino)phenyl]prop-2-enenitrile;methylsulfinylmethane
CID 139204005
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
4-methoxy-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46393260
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
[2-[(E)-3-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]anilino]-3-oxoprop-1-enyl]phenyl] benzoate
CID 45020507

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 76511800) is N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WMHJQVQCBDYHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-25-16-9-7-13(8-10-16)11-15(12-20)18-22-23-19(26-18)21-17(24)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,23,24).
What are the key properties of N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 346.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 76511800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).