3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one

C10H15NO2 — CID 58226154

IUPAC3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(CC2CCCCC2)=NO1
InChIInChI=1S/C10H15NO2/c12-10-7-9(11-13-10)6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyOZOFZSMQUBIICV-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.26
Rot. Bonds2

About 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one

3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one (PubChem CID 58226154) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one
PubChem CID58226154
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one
SMILESO=C1CC(CC2CCCCC2)=NO1
InChIInChI=1S/C10H15NO2/c12-10-7-9(11-13-10)6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyOZOFZSMQUBIICV-UHFFFAOYSA-N
XLogP2.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-Methylbutyl)-4,5-dihydro-1,2-oxazol-5-one
CID 137648546
3-Cyclobutyl-4,5-dihydro-1,2-oxazol-5-one
CID 83845394
(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-one
CID 12665307
cyclohexanone O-(cyclohexylcarbonyl)oxime
CID 4948327
methyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611516
cyclopentanone O-cyclohexylcarbonyloxime
CID 129750187
cycloheptanone O-cyclohexylcarbonyloxime
CID 129750357
ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
CID 177606095
2-(4-Hydroxyiminocyclohexyl)acetic acid
CID 11240737
methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611517
4-(Hydroxyimino)cyclohexane-1-carboxylic acid
CID 21569312

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one (CID 58226154) is 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one is O=C1CC(CC2CCCCC2)=NO1.
What is the InChIKey of 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one?
The InChIKey is OZOFZSMQUBIICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-7-9(11-13-10)6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one?
3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one has a molecular weight of 181.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 58226154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).