3-methyl-4-phenyl-1,2-oxazole

C10H9NO — CID 12551074

IUPAC3-methyl-4-phenyl-1,2-oxazole
SMILESCc1nocc1-c1ccccc1
InChIInChI=1S/C10H9NO/c1-8-10(7-12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHTSGAODELQKLKY-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.65
Rot. Bonds1

About 3-methyl-4-phenyl-1,2-oxazole

3-methyl-4-phenyl-1,2-oxazole (PubChem CID 12551074) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4-phenyl-1,2-oxazole
PubChem CID12551074
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3-methyl-4-phenyl-1,2-oxazole
SMILESCc1nocc1-c1ccccc1
InChIInChI=1S/C10H9NO/c1-8-10(7-12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyHTSGAODELQKLKY-UHFFFAOYSA-N
XLogP2.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-1,2-oxazole?
The IUPAC name of 3-methyl-4-phenyl-1,2-oxazole (CID 12551074) is 3-methyl-4-phenyl-1,2-oxazole.
What is the SMILES notation for 3-methyl-4-phenyl-1,2-oxazole?
The canonical SMILES for 3-methyl-4-phenyl-1,2-oxazole is Cc1nocc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-1,2-oxazole?
The InChIKey is HTSGAODELQKLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-8-10(7-12-11-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-4-phenyl-1,2-oxazole?
3-methyl-4-phenyl-1,2-oxazole has a molecular weight of 159.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1,2-oxazole is sourced from PubChem (CID 12551074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).