3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one

C10H9NO3 — CID 66587010

IUPAC3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one
SMILESCOc1cccc(C2=NOC(=O)C2)c1
InChIInChI=1S/C10H9NO3/c1-13-8-4-2-3-7(5-8)9-6-10(12)14-11-9/h2-5H,6H2,1H3
InChIKeyFZRPFDCBIAJPNM-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.35
Rot. Bonds2

About 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one

3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one (PubChem CID 66587010) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one
PubChem CID66587010
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one
SMILESCOc1cccc(C2=NOC(=O)C2)c1
InChIInChI=1S/C10H9NO3/c1-13-8-4-2-3-7(5-8)9-6-10(12)14-11-9/h2-5H,6H2,1H3
InChIKeyFZRPFDCBIAJPNM-UHFFFAOYSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one (CID 66587010) is 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one is COc1cccc(C2=NOC(=O)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one?
The InChIKey is FZRPFDCBIAJPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-13-8-4-2-3-7(5-8)9-6-10(12)14-11-9/h2-5H,6H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one?
3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one has a molecular weight of 191.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 66587010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).