2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol

C12H17NO2 — CID 11790411

IUPAC2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(C2=CCCCC2)nc1CCO
InChIInChI=1S/C12H17NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h5,14H,2-4,6-8H2,1H3
InChIKeyOCSBYJPFRHIVAL-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.48
Rot. Bonds3

About 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol

2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol (PubChem CID 11790411) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol
PubChem CID11790411
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(C2=CCCCC2)nc1CCO
InChIInChI=1S/C12H17NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h5,14H,2-4,6-8H2,1H3
InChIKeyOCSBYJPFRHIVAL-UHFFFAOYSA-N
XLogP2.48
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol (CID 11790411) is 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol is Cc1oc(C2=CCCCC2)nc1CCO.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The InChIKey is OCSBYJPFRHIVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h5,14H,2-4,6-8H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol?
2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol has a molecular weight of 207.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)-5-methyl-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 11790411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).