4-(4-ethylphenyl)-1,3-oxazole

C11H11NO — CID 57297368

IUPAC4-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cocn2)cc1
InChIInChI=1S/C11H11NO/c1-2-9-3-5-10(6-4-9)11-7-13-8-12-11/h3-8H,2H2,1H3
InChIKeyDQBWKFGHEULUPN-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.90
Rot. Bonds2

About 4-(4-ethylphenyl)-1,3-oxazole

4-(4-ethylphenyl)-1,3-oxazole (PubChem CID 57297368) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1,3-oxazole
PubChem CID57297368
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name4-(4-ethylphenyl)-1,3-oxazole
SMILESCCc1ccc(-c2cocn2)cc1
InChIInChI=1S/C11H11NO/c1-2-9-3-5-10(6-4-9)11-7-13-8-12-11/h3-8H,2H2,1H3
InChIKeyDQBWKFGHEULUPN-UHFFFAOYSA-N
XLogP2.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1,3-oxazole?
The IUPAC name of 4-(4-ethylphenyl)-1,3-oxazole (CID 57297368) is 4-(4-ethylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-ethylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(4-ethylphenyl)-1,3-oxazole is CCc1ccc(-c2cocn2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1,3-oxazole?
The InChIKey is DQBWKFGHEULUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-9-3-5-10(6-4-9)11-7-13-8-12-11/h3-8H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-1,3-oxazole?
4-(4-ethylphenyl)-1,3-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1,3-oxazole is sourced from PubChem (CID 57297368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).