[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate

C15H12N2O4 — CID 6460267

IUPAC[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3ccco3)o2)cc1
InChIInChI=1S/C15H12N2O4/c1-10-4-6-11(7-5-10)14-17-16-13(21-14)9-20-15(18)12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyJSJHTLQINCPHCN-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.00
Rot. Bonds4

About [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate

[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate (PubChem CID 6460267) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
PubChem CID6460267
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3ccco3)o2)cc1
InChIInChI=1S/C15H12N2O4/c1-10-4-6-11(7-5-10)14-17-16-13(21-14)9-20-15(18)12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyJSJHTLQINCPHCN-UHFFFAOYSA-N
XLogP3.00
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate 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

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
2-(4-Fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 671988
2-(4-Chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 707391
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 2108229
2-[[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone
CID 2424786
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 2469443
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
CID 7814111
4-(1,3,4-Oxadiazol-2-yl)phenyl 5-methylfuran-2-carboxylate
CID 24981890
2-(4-Ethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
CID 692974
2-(2-Furyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 1224746

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
The IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate (CID 6460267) is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
The canonical SMILES for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate is Cc1ccc(-c2nnc(COC(=O)c3ccco3)o2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
The InChIKey is JSJHTLQINCPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-10-4-6-11(7-5-10)14-17-16-13(21-14)9-20-15(18)12-3-2-8-19-12/h2-8H,9H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate?
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 6460267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).