3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole

C17H23NO — CID 150369967

IUPAC3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole
SMILESCCC1C=C(c2ccccc2C2CCCCC2)NO1
InChIInChI=1S/C17H23NO/c1-2-14-12-17(18-19-14)16-11-7-6-10-15(16)13-8-4-3-5-9-13/h6-7,10-14,18H,2-5,8-9H2,1H3
InChIKeyGXNGSRLZRWNPGR-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.39
Rot. Bonds3

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

3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole (PubChem CID 150369967) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole
PubChem CID150369967
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole
SMILESCCC1C=C(c2ccccc2C2CCCCC2)NO1
InChIInChI=1S/C17H23NO/c1-2-14-12-17(18-19-14)16-11-7-6-10-15(16)13-8-4-3-5-9-13/h6-7,10-14,18H,2-5,8-9H2,1H3
InChIKeyGXNGSRLZRWNPGR-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole (CID 150369967) is 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole is CCC1C=C(c2ccccc2C2CCCCC2)NO1.
What is the InChIKey of 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole?
The InChIKey is GXNGSRLZRWNPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-14-12-17(18-19-14)16-11-7-6-10-15(16)13-8-4-3-5-9-13/h6-7,10-14,18H,2-5,8-9H2,1H3.
What are the key properties of 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole?
3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole has a molecular weight of 257.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylphenyl)-5-ethyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 150369967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).