5-(4-methylphenyl)-1,3-oxazole

C10H9NO — CID 2739179

IUPAC5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnco2)cc1
InChIInChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3
InChIKeyVKPVBCSBGBAMCJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.65
Rot. Bonds1

About 5-(4-methylphenyl)-1,3-oxazole

5-(4-methylphenyl)-1,3-oxazole (PubChem CID 2739179) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3-oxazole
PubChem CID2739179
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnco2)cc1
InChIInChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3
InChIKeyVKPVBCSBGBAMCJ-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 5-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-methylphenyl)-1,3-oxazole (CID 2739179) is 5-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2cnco2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3-oxazole?
The InChIKey is VKPVBCSBGBAMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-11-7-12-10/h2-7H,1H3.
What are the key properties of 5-(4-methylphenyl)-1,3-oxazole?
5-(4-methylphenyl)-1,3-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 5-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 2739179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).