3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one

C12H21NO3 — CID 104550030

IUPAC3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one
SMILESCCC1CCC(O)(CN2CCOC2=O)CC1
InChIInChI=1S/C12H21NO3/c1-2-10-3-5-12(15,6-4-10)9-13-7-8-16-11(13)14/h10,15H,2-9H2,1H3
InChIKeyUIZVCBWAJABCLT-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.77
Rot. Bonds3

About 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one

3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 104550030) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one
PubChem CID104550030
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one
SMILESCCC1CCC(O)(CN2CCOC2=O)CC1
InChIInChI=1S/C12H21NO3/c1-2-10-3-5-12(15,6-4-10)9-13-7-8-16-11(13)14/h10,15H,2-9H2,1H3
InChIKeyUIZVCBWAJABCLT-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylamino)ethyl 8-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 212337
2-(Dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 3055078
(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one
CID 18632974
4-(Cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 21654838
3,8-Dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 22975660
3-(Cyclohexylmethyl)-5-(2-hydroxy-3-methylbutyl)-1,3-oxazolidin-2-one
CID 54550985
tert-butyl (4S,5S)-4-(cyclohexylmethyl)-5-(6-hydroxyhexyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57126820
Tert-butyl-3-(cyclohexylmethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 59411493
tert-Butyl 8-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 71630733
5-Cyclohexyl-3-ethyl-1,3-oxazolidin-2-one
CID 89080774
2-Cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate
CID 89484518
5-Cyclohexyl-3-methyl-1,3-oxazolidin-2-one
CID 90179108

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one (CID 104550030) is 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one is CCC1CCC(O)(CN2CCOC2=O)CC1.
What is the InChIKey of 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is UIZVCBWAJABCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-10-3-5-12(15,6-4-10)9-13-7-8-16-11(13)14/h10,15H,2-9H2,1H3.
What are the key properties of 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one?
3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 227.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 104550030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).