6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one

C14H9N3O4 — CID 53139211

IUPAC6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3noc(-c4ccco4)n3)ccc21
InChIInChI=1S/C14H9N3O4/c1-17-9-5-4-8(7-11(9)20-14(17)18)12-15-13(21-16-12)10-3-2-6-19-10/h2-7H,1H3
InChIKeyZHDALNIJFCMDLS-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.44
Rot. Bonds2

About 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one

6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 53139211) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID53139211
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3noc(-c4ccco4)n3)ccc21
InChIInChI=1S/C14H9N3O4/c1-17-9-5-4-8(7-11(9)20-14(17)18)12-15-13(21-16-12)10-3-2-6-19-10/h2-7H,1H3
InChIKeyZHDALNIJFCMDLS-UHFFFAOYSA-N
XLogP2.44
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one 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

N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53139190
3-methyl-6-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazol-2-one
CID 53139261
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 100559933
5-(furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 53139242
3-propan-2-yl-6-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazol-2-one
CID 53139360
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 53139359
3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
6-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 53139277

Frequently Asked Questions

What is the IUPAC name of 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one (CID 53139211) is 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(-c3noc(-c4ccco4)n3)ccc21.
What is the InChIKey of 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is ZHDALNIJFCMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c1-17-9-5-4-8(7-11(9)20-14(17)18)12-15-13(21-16-12)10-3-2-6-19-10/h2-7H,1H3.
What are the key properties of 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 283.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 53139211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).