3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane

C18H20N2O4 — CID 143255236

IUPAC3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane
SMILESCCC.Cc1ccc(Oc2ccccc2-c2noc(=O)[nH]2)c(O)c1
InChIInChI=1S/C15H12N2O4.C3H8/c1-9-6-7-13(11(18)8-9)20-12-5-3-2-4-10(12)14-16-15(19)21-17-14;1-3-2/h2-8,18H,1H3,(H,16,17,19);3H2,1-2H3
InChIKeyBVLWWUZCHRLKCE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.25
Rot. Bonds3

About 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane

3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane (PubChem CID 143255236) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane.

Molecular Properties

Compound Name3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane
PubChem CID143255236
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane
SMILESCCC.Cc1ccc(Oc2ccccc2-c2noc(=O)[nH]2)c(O)c1
InChIInChI=1S/C15H12N2O4.C3H8/c1-9-6-7-13(11(18)8-9)20-12-5-3-2-4-10(12)14-16-15(19)21-17-14;1-3-2/h2-8,18H,1H3,(H,16,17,19);3H2,1-2H3
InChIKeyBVLWWUZCHRLKCE-UHFFFAOYSA-N
XLogP4.25
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane 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

3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143255222
3-[2-(2-ethoxy-4-ethylphenyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 173480215
2-[2-(furan-2-yl)-4-hydroxyphenoxy]-5-methylphenol
CID 143255223
2-(2,4-dimethylphenoxy)phenol
CID 91665530
2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332094
2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 140579352
2-(2-azidophenoxy)-5-methylphenol
CID 86607775
methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate
CID 143255228
4-methyl-1-(2-phenylphenoxy)-2-(2-phenylphenyl)benzene
CID 68742549
3-(3-chloro-2-fluorophenyl)-4H-1,2,4-oxadiazol-5-one
CID 136987490
3-[4-[(3,5-dichloro-2-hydroxyanilino)methyl]-2-methoxyphenyl]-4H-1,2,4-oxadiazol-5-one
CID 146342469
2-(2-methoxyphenoxy)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 167860661

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane?
The IUPAC name of 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane (CID 143255236) is 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane.
What is the SMILES notation for 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane?
The canonical SMILES for 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane is CCC.Cc1ccc(Oc2ccccc2-c2noc(=O)[nH]2)c(O)c1.
What is the InChIKey of 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane?
The InChIKey is BVLWWUZCHRLKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4.C3H8/c1-9-6-7-13(11(18)8-9)20-12-5-3-2-4-10(12)14-16-15(19)21-17-14;1-3-2/h2-8,18H,1H3,(H,16,17,19);3H2,1-2H3.
What are the key properties of 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane?
3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane has a molecular weight of 328.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane is sourced from PubChem (CID 143255236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).