4-methyl-3-phenyl-2H-1,2-oxazol-5-one

C10H9NO2 — CID 576162

IUPAC4-methyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESCc1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C10H9NO2/c1-7-9(11-13-10(7)12)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyPBSCSCPTVAKFFY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.94
Rot. Bonds1

About 4-methyl-3-phenyl-2H-1,2-oxazol-5-one

4-methyl-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 576162) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methyl-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID576162
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-methyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESCc1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C10H9NO2/c1-7-9(11-13-10(7)12)8-5-3-2-4-6-8/h2-6,11H,1H3
InChIKeyPBSCSCPTVAKFFY-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-methyl-3-phenyl-2H-1,2-oxazol-5-one (CID 576162) is 4-methyl-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-methyl-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-methyl-3-phenyl-2H-1,2-oxazol-5-one is Cc1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 4-methyl-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is PBSCSCPTVAKFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-9(11-13-10(7)12)8-5-3-2-4-6-8/h2-6,11H,1H3.
What are the key properties of 4-methyl-3-phenyl-2H-1,2-oxazol-5-one?
4-methyl-3-phenyl-2H-1,2-oxazol-5-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 4-methyl-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 576162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).