4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one

C10H10N2O3 — CID 142232333

IUPAC4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one
SMILESCOn1c(-c2ccc(C)cc2)noc1=O
InChIInChI=1S/C10H10N2O3/c1-7-3-5-8(6-4-7)9-11-15-10(13)12(9)14-2/h3-6H,1-2H3
InChIKeyFDGPCAOZIVPANB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.87
Rot. Bonds2

About 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one

4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one (PubChem CID 142232333) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one
PubChem CID142232333
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one
SMILESCOn1c(-c2ccc(C)cc2)noc1=O
InChIInChI=1S/C10H10N2O3/c1-7-3-5-8(6-4-7)9-11-15-10(13)12(9)14-2/h3-6H,1-2H3
InChIKeyFDGPCAOZIVPANB-UHFFFAOYSA-N
XLogP0.87
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one (CID 142232333) is 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one is COn1c(-c2ccc(C)cc2)noc1=O.
What is the InChIKey of 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is FDGPCAOZIVPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-3-5-8(6-4-7)9-11-15-10(13)12(9)14-2/h3-6H,1-2H3.
What are the key properties of 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one?
4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 206.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methylphenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 142232333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).