3-(4-ethylphenyl)-4H-1,2-oxazol-5-one

C11H11NO2 — CID 130170876

IUPAC3-(4-ethylphenyl)-4H-1,2-oxazol-5-one
SMILESCCc1ccc(C2=NOC(=O)C2)cc1
InChIInChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)10-7-11(13)14-12-10/h3-6H,2,7H2,1H3
InChIKeyCURMIAJSBCKXTG-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.90
Rot. Bonds2

About 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one

3-(4-ethylphenyl)-4H-1,2-oxazol-5-one (PubChem CID 130170876) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-4H-1,2-oxazol-5-one
PubChem CID130170876
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(4-ethylphenyl)-4H-1,2-oxazol-5-one
SMILESCCc1ccc(C2=NOC(=O)C2)cc1
InChIInChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)10-7-11(13)14-12-10/h3-6H,2,7H2,1H3
InChIKeyCURMIAJSBCKXTG-UHFFFAOYSA-N
XLogP1.90
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174317758
5-(bromomethyl)-3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole
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6-(4-ethylphenyl)-2,3,4,5-tetrahydropyridine
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2,2-bis(4-ethylphenyl)-1,3-dioxane-4,6-dione
CID 70278572
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
tert-butyl 2-[4-(5-sulfanylidene-4H-1,2-oxazol-3-yl)phenyl]acetate
CID 157452718
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
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ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one (CID 130170876) is 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one is CCc1ccc(C2=NOC(=O)C2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one?
The InChIKey is CURMIAJSBCKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)10-7-11(13)14-12-10/h3-6H,2,7H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one?
3-(4-ethylphenyl)-4H-1,2-oxazol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 130170876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).