1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one

C12H17NO2 — CID 68637080

IUPAC1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(C2CCCCC2)co1
InChIInChI=1S/C12H17NO2/c1-9(14)7-12-13-11(8-15-12)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyNEESJHUTPHHVLC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one

1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one (PubChem CID 68637080) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one
PubChem CID68637080
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(C2CCCCC2)co1
InChIInChI=1S/C12H17NO2/c1-9(14)7-12-13-11(8-15-12)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyNEESJHUTPHHVLC-UHFFFAOYSA-N
XLogP2.85
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one (CID 68637080) is 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one is CC(=O)Cc1nc(C2CCCCC2)co1.
What is the InChIKey of 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one?
The InChIKey is NEESJHUTPHHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)7-12-13-11(8-15-12)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one?
1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,3-oxazol-2-yl)propan-2-one is sourced from PubChem (CID 68637080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).