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

C15H12N2O3 — CID 143255222

IUPAC3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1ccc(Oc2ccccc2-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C15H12N2O3/c1-10-6-8-11(9-7-10)19-13-5-3-2-4-12(13)14-16-15(18)20-17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyXFLDGBVAYRXMHU-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.13
Rot. Bonds3

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

3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 143255222) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID143255222
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1ccc(Oc2ccccc2-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C15H12N2O3/c1-10-6-8-11(9-7-10)19-13-5-3-2-4-12(13)14-16-15(18)20-17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyXFLDGBVAYRXMHU-UHFFFAOYSA-N
XLogP3.13
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane
CID 143255236
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 140579352
2,3-bis(4-methylphenoxy)naphthalene-1,4-dione
CID 14091253
3-[2-(2-ethoxy-4-ethylphenyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 173480215
3-(3-chloro-2-fluorophenyl)-4H-1,2,4-oxadiazol-5-one
CID 136987490
N-[4-[2-(1H-benzimidazol-2-yl)phenoxy]phenyl]acetamide
CID 168555488
1-(4-fluorophenoxy)-4-methyl-2-(2-methylphenyl)benzene
CID 142805092
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
4-(4-methylphenoxy)-1,2-benzoxazol-3-amine
CID 86079218
3-(1-oxo-3,4-dihydroisochromen-5-yl)-4H-1,2,4-oxadiazol-5-one
CID 154659798
1-(4-methylphenoxy)-9H-carbazole
CID 141175510

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one (CID 143255222) is 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one is Cc1ccc(Oc2ccccc2-c2noc(=O)[nH]2)cc1.
What is the InChIKey of 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XFLDGBVAYRXMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-6-8-11(9-7-10)19-13-5-3-2-4-12(13)14-16-15(18)20-17-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 268.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 143255222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).