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

C15H12N2O4 — CID 9325780

IUPAC[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate
SMILESCc1ccc(-c2noc(COC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C15H12N2O4/c1-10-4-6-11(7-5-10)14-16-13(21-17-14)9-20-15(18)12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyKHIWNLOCFDDTEA-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.00
Rot. Bonds4

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

[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate (PubChem CID 9325780) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate
PubChem CID9325780
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate
SMILESCc1ccc(-c2noc(COC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C15H12N2O4/c1-10-4-6-11(7-5-10)14-16-13(21-17-14)9-20-15(18)12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyKHIWNLOCFDDTEA-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 [3-(4-methylphenyl)-1,2,4-oxadiazol-5-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

5-(5-Bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 750811
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide
CID 2990373
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 6462763
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 6464046
5-(Furan-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 1946188
5-(3-Chloro-furan-2-yl)-3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazole
CID 9836512
5-(3-Bromo-furan-2-yl)-3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazole
CID 10109081
1-(5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl)-7-phenylheptan-1-one
CID 24951157
3-(3,4-Dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 703724
5-(5-Bromofuran-2-yl)-3-phenyl-1,2,4-oxadiazole
CID 752705
N-{1-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-YL]ethyl}furan-2-carboxamide
CID 6460290
2-Isopropoxy-3-(4-((5-p-tolyl-1,2,4-oxadiazol-3-yl)methoxy)phenyl)propanoic acid
CID 44316496

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate?
The IUPAC name of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate (CID 9325780) is [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate?
The canonical SMILES for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate is Cc1ccc(-c2noc(COC(=O)c3ccco3)n2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate?
The InChIKey is KHIWNLOCFDDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-10-4-6-11(7-5-10)14-16-13(21-17-14)9-20-15(18)12-3-2-8-19-12/h2-8H,9H2,1H3.
What are the key properties of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate?
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-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 [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 9325780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).