4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide

C25H21N3O4 — CID 170458873

IUPAC4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(OC)cc2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C25H21N3O4/c1-3-15-31-20-13-14-22(26-23(29)17-9-11-19(30-2)12-10-17)21(16-20)25-28-27-24(32-25)18-7-5-4-6-8-18/h3-14,16H,1,15H2,2H3,(H,26,29)
InChIKeyUZMRDXNJEPSNHZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.23
Rot. Bonds8

About 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide

4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide (PubChem CID 170458873) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
PubChem CID170458873
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(OC)cc2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C25H21N3O4/c1-3-15-31-20-13-14-22(26-23(29)17-9-11-19(30-2)12-10-17)21(16-20)25-28-27-24(32-25)18-7-5-4-6-8-18/h3-14,16H,1,15H2,2H3,(H,26,29)
InChIKeyUZMRDXNJEPSNHZ-UHFFFAOYSA-N
XLogP5.23
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide
CID 170458823
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 170458739
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 2799969
N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24606756
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide (CID 170458873) is 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide is C=CCOc1ccc(NC(=O)c2ccc(OC)cc2)c(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide?
The InChIKey is UZMRDXNJEPSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-3-15-31-20-13-14-22(26-23(29)17-9-11-19(30-2)12-10-17)21(16-20)25-28-27-24(32-25)18-7-5-4-6-8-18/h3-14,16H,1,15H2,2H3,(H,26,29).
What are the key properties of 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide?
4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide has a molecular weight of 427.46 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide is sourced from PubChem (CID 170458873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).