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

C14H23NO — CID 20586403

IUPAC3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1CC2ON=C(CC3CCCCC3)C2C1
InChIInChI=1S/C14H23NO/c1-10-7-12-13(15-16-14(12)8-10)9-11-5-3-2-4-6-11/h10-12,14H,2-9H2,1H3
InChIKeyGWSZFULUYDAMCQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.76
Rot. Bonds2

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

3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (PubChem CID 20586403) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
PubChem CID20586403
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
SMILESCC1CC2ON=C(CC3CCCCC3)C2C1
InChIInChI=1S/C14H23NO/c1-10-7-12-13(15-16-14(12)8-10)9-11-5-3-2-4-6-11/h10-12,14H,2-9H2,1H3
InChIKeyGWSZFULUYDAMCQ-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The IUPAC name of 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole (CID 20586403) is 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is CC1CC2ON=C(CC3CCCCC3)C2C1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
The InChIKey is GWSZFULUYDAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-12-13(15-16-14(12)8-10)9-11-5-3-2-4-6-11/h10-12,14H,2-9H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole?
3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole has a molecular weight of 221.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 20586403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).