2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole

C11H13NO — CID 66764190

IUPAC2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C11H13NO/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h3-6H,2,7-8H2,1H3
InChIKeyKMWZCMUULSFFBR-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.03
Rot. Bonds2

About 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole

2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 66764190) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID66764190
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C11H13NO/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h3-6H,2,7-8H2,1H3
InChIKeyKMWZCMUULSFFBR-UHFFFAOYSA-N
XLogP2.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole (CID 66764190) is 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole is CCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is KMWZCMUULSFFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 66764190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).