3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one

C14H25NO2 — CID 123312305

IUPAC3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one
SMILESCCCCCC1CCCC(N2CCOC2=O)C1
InChIInChI=1S/C14H25NO2/c1-2-3-4-6-12-7-5-8-13(11-12)15-9-10-17-14(15)16/h12-13H,2-11H2,1H3
InChIKeySKOGEISLTILLDK-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.58
Rot. Bonds5

About 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one

3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one (PubChem CID 123312305) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one
PubChem CID123312305
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one
SMILESCCCCCC1CCCC(N2CCOC2=O)C1
InChIInChI=1S/C14H25NO2/c1-2-3-4-6-12-7-5-8-13(11-12)15-9-10-17-14(15)16/h12-13H,2-11H2,1H3
InChIKeySKOGEISLTILLDK-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dipentylcyclohexane
CID 54105663
1,3-diheptylcyclohexane
CID 19973333
(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 143875837
2-[3-(2-oxo-1,3-oxazolidin-3-yl)cyclopentyl]acetic acid
CID 130702570
4-pentadecyloxepan-2-one
CID 132822140
3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 138608058
1-methyl-3-octylcyclohexane
CID 54298070
1-methyl-3-octadecylcyclohexane
CID 175465709
3-(4-bromocyclohexyl)-1,3-oxazolidin-2-one
CID 170450240
3-piperidin-3-yl-1,3-oxazolidin-2-one;hydrochloride
CID 167727849
6-dodecyloxepan-2-one
CID 141057550
3-heptylcyclohexan-1-ol
CID 64515801

Frequently Asked Questions

What is the IUPAC name of 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one (CID 123312305) is 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one is CCCCCC1CCCC(N2CCOC2=O)C1.
What is the InChIKey of 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one?
The InChIKey is SKOGEISLTILLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-6-12-7-5-8-13(11-12)15-9-10-17-14(15)16/h12-13H,2-11H2,1H3.
What are the key properties of 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one?
3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123312305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).