3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole

C13H21NO — CID 20586402

IUPAC3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1CC2ON=C(C3CCCCC3)C2C1
InChIInChI=1S/C13H21NO/c1-9-7-11-12(8-9)15-14-13(11)10-5-3-2-4-6-10/h9-12H,2-8H2,1H3
InChIKeyCNAQJIMNPHPFBP-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.37
Rot. Bonds1

About 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole

3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (PubChem CID 20586402) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
PubChem CID20586402
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1CC2ON=C(C3CCCCC3)C2C1
InChIInChI=1S/C13H21NO/c1-9-7-11-12(8-9)15-14-13(11)10-5-3-2-4-6-10/h9-12H,2-8H2,1H3
InChIKeyCNAQJIMNPHPFBP-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 13791831
(3aR,6aR)-3-hexyl-2-oxido-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-2-ium
CID 101413258
(1R,2S,6S,7S)-5-butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 134896927
(3aR,6aR)-5-ethyl-4,4-difluoro-3-methyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole
CID 162594467
5-Butyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 74078466
3-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 12252116
3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 13296104
(3aR,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 13296105
3-heptan-4-yl-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 20586400
3-butan-2-yl-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 20586401
3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 20586403
5-methyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 20586430

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The IUPAC name of 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (CID 20586402) is 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is CC1CC2ON=C(C3CCCCC3)C2C1.
What is the InChIKey of 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The InChIKey is CNAQJIMNPHPFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-7-11-12(8-9)15-14-13(11)10-5-3-2-4-6-10/h9-12H,2-8H2,1H3.
What are the key properties of 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole has a molecular weight of 207.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 20586402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).