3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C12H19NO2 — CID 23359925

IUPAC3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1CCC2COC(C3CCCCC3)N12
InChIInChI=1S/C12H19NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h9-10,12H,1-8H2
InChIKeyJJVABRIGXKRRLF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds1

About 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 23359925) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID23359925
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1CCC2COC(C3CCCCC3)N12
InChIInChI=1S/C12H19NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h9-10,12H,1-8H2
InChIKeyJJVABRIGXKRRLF-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 23359925) is 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is O=C1CCC2COC(C3CCCCC3)N12.
What is the InChIKey of 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is JJVABRIGXKRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h9-10,12H,1-8H2.
What are the key properties of 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 209.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 23359925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).