[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate

C17H14N2O4 — CID 144750250

IUPAC[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
SMILESCOc1ccc(-c2nnc(-c3ccc(OC(C)=O)cc3)o2)cc1
InChIInChI=1S/C17H14N2O4/c1-11(20)22-15-9-5-13(6-10-15)17-19-18-16(23-17)12-3-7-14(21-2)8-4-12/h3-10H,1-2H3
InChIKeyCQXVPMRVSJVXRB-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.34
Rot. Bonds4

About [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate

[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate (PubChem CID 144750250) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
PubChem CID144750250
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
SMILESCOc1ccc(-c2nnc(-c3ccc(OC(C)=O)cc3)o2)cc1
InChIInChI=1S/C17H14N2O4/c1-11(20)22-15-9-5-13(6-10-15)17-19-18-16(23-17)12-3-7-14(21-2)8-4-12/h3-10H,1-2H3
InChIKeyCQXVPMRVSJVXRB-UHFFFAOYSA-N
XLogP3.34
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-[3,5-bis[5-(4-acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 118041982
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
[4-[[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]carbamoyl]phenyl] acetate
CID 58104897
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
CID 102032244
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363348

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
The IUPAC name of [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate (CID 144750250) is [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate.
What is the SMILES notation for [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
The canonical SMILES for [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate is COc1ccc(-c2nnc(-c3ccc(OC(C)=O)cc3)o2)cc1.
What is the InChIKey of [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
The InChIKey is CQXVPMRVSJVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-11(20)22-15-9-5-13(6-10-15)17-19-18-16(23-17)12-3-7-14(21-2)8-4-12/h3-10H,1-2H3.
What are the key properties of [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate has a molecular weight of 310.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate is sourced from PubChem (CID 144750250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).