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

C10H9NO3 — CID 19596631

IUPAC5-(4-methoxyphenyl)-1,2-oxazol-3-one
SMILESCOc1ccc(-c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-10(12)11-14-9/h2-6H,1H3,(H,11,12)
InChIKeyKLPXQLKDOGQNAA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.64
Rot. Bonds2

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

5-(4-methoxyphenyl)-1,2-oxazol-3-one (PubChem CID 19596631) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,2-oxazol-3-one
PubChem CID19596631
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-(4-methoxyphenyl)-1,2-oxazol-3-one
SMILESCOc1ccc(-c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-10(12)11-14-9/h2-6H,1H3,(H,11,12)
InChIKeyKLPXQLKDOGQNAA-UHFFFAOYSA-N
XLogP1.64
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-1,2-oxazol-3-one (CID 19596631) is 5-(4-methoxyphenyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1,2-oxazol-3-one is COc1ccc(-c2cc(=O)[nH]o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,2-oxazol-3-one?
The InChIKey is KLPXQLKDOGQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-10(12)11-14-9/h2-6H,1H3,(H,11,12).
What are the key properties of 5-(4-methoxyphenyl)-1,2-oxazol-3-one?
5-(4-methoxyphenyl)-1,2-oxazol-3-one has a molecular weight of 191.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,2-oxazol-3-one is sourced from PubChem (CID 19596631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).