2-cyclohexyl-4H-1,3-oxazol-5-one

C9H13NO2 — CID 91515929

IUPAC2-cyclohexyl-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(C2CCCCC2)O1
InChIInChI=1S/C9H13NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyHYPRVRYNLJCWQC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.52
Rot. Bonds1

About 2-cyclohexyl-4H-1,3-oxazol-5-one

2-cyclohexyl-4H-1,3-oxazol-5-one (PubChem CID 91515929) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-cyclohexyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-cyclohexyl-4H-1,3-oxazol-5-one
PubChem CID91515929
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-cyclohexyl-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(C2CCCCC2)O1
InChIInChI=1S/C9H13NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyHYPRVRYNLJCWQC-UHFFFAOYSA-N
XLogP1.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-cyclohexyl-4H-1,3-oxazol-5-one (CID 91515929) is 2-cyclohexyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-cyclohexyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-cyclohexyl-4H-1,3-oxazol-5-one is O=C1CN=C(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-4H-1,3-oxazol-5-one?
The InChIKey is HYPRVRYNLJCWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2-cyclohexyl-4H-1,3-oxazol-5-one?
2-cyclohexyl-4H-1,3-oxazol-5-one has a molecular weight of 167.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 91515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).