5-methyl-5-phenyl-4H-1,2-oxazole

C10H11NO — CID 13123756

IUPAC5-methyl-5-phenyl-4H-1,2-oxazole
SMILESCC1(c2ccccc2)CC=NO1
InChIInChI=1S/C10H11NO/c1-10(7-8-11-12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMBEOKSSVVSHIAN-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.31
Rot. Bonds1

About 5-methyl-5-phenyl-4H-1,2-oxazole

5-methyl-5-phenyl-4H-1,2-oxazole (PubChem CID 13123756) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-methyl-5-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-5-phenyl-4H-1,2-oxazole
PubChem CID13123756
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-methyl-5-phenyl-4H-1,2-oxazole
SMILESCC1(c2ccccc2)CC=NO1
InChIInChI=1S/C10H11NO/c1-10(7-8-11-12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMBEOKSSVVSHIAN-UHFFFAOYSA-N
XLogP2.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-methyl-5-phenyl-4H-1,2-oxazole (CID 13123756) is 5-methyl-5-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-5-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-5-phenyl-4H-1,2-oxazole is CC1(c2ccccc2)CC=NO1.
What is the InChIKey of 5-methyl-5-phenyl-4H-1,2-oxazole?
The InChIKey is MBEOKSSVVSHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-10(7-8-11-12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 5-methyl-5-phenyl-4H-1,2-oxazole?
5-methyl-5-phenyl-4H-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 13123756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).