2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole

C11H12ClNO — CID 11984388

IUPAC2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccccc2Cl)=N1
InChIInChI=1S/C11H12ClNO/c1-2-8-7-14-11(13-8)9-5-3-4-6-10(9)12/h3-6,8H,2,7H2,1H3
InChIKeyWDMAMACJQIGPFR-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.90
Rot. Bonds2

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

2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 11984388) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID11984388
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccccc2Cl)=N1
InChIInChI=1S/C11H12ClNO/c1-2-8-7-14-11(13-8)9-5-3-4-6-10(9)12/h3-6,8H,2,7H2,1H3
InChIKeyWDMAMACJQIGPFR-UHFFFAOYSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole (CID 11984388) is 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole is CCC1COC(c2ccccc2Cl)=N1.
What is the InChIKey of 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is WDMAMACJQIGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-8-7-14-11(13-8)9-5-3-4-6-10(9)12/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 209.68 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 2-(2-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11984388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).