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

C10H9NO2 — CID 19596543

IUPAC5-(4-methylphenyl)-1,2-oxazol-3-one
SMILESCc1ccc(-c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)11-13-9/h2-6H,1H3,(H,11,12)
InChIKeyAWYXDNPIIRBIMO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.94
Rot. Bonds1

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

5-(4-methylphenyl)-1,2-oxazol-3-one (PubChem CID 19596543) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,2-oxazol-3-one
PubChem CID19596543
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-(4-methylphenyl)-1,2-oxazol-3-one
SMILESCc1ccc(-c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)11-13-9/h2-6H,1H3,(H,11,12)
InChIKeyAWYXDNPIIRBIMO-UHFFFAOYSA-N
XLogP1.94
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 17783819
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CID 19596554
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CID 19596619
CID 19596619

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(4-methylphenyl)-1,2-oxazol-3-one (CID 19596543) is 5-(4-methylphenyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(4-methylphenyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(4-methylphenyl)-1,2-oxazol-3-one is Cc1ccc(-c2cc(=O)[nH]o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,2-oxazol-3-one?
The InChIKey is AWYXDNPIIRBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)11-13-9/h2-6H,1H3,(H,11,12).
What are the key properties of 5-(4-methylphenyl)-1,2-oxazol-3-one?
5-(4-methylphenyl)-1,2-oxazol-3-one has a molecular weight of 175.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,2-oxazol-3-one is sourced from PubChem (CID 19596543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).