(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one

C15H27NO3 — CID 18632974

IUPAC(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one
SMILESCCC(O)CCN1C(=O)OC[C@@H]1CC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-14(17)8-9-16-13(11-19-15(16)18)10-12-6-4-3-5-7-12/h12-14,17H,2-11H2,1H3/t13-,14?/m0/s1
InChIKeyBZBVFWJUOYZSCC-LSLKUGRBSA-N
MW269.38 g/mol
LogP2.94
Rot. Bonds6

About (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one

(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one (PubChem CID 18632974) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one
PubChem CID18632974
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one
SMILESCCC(O)CCN1C(=O)OC[C@@H]1CC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-14(17)8-9-16-13(11-19-15(16)18)10-12-6-4-3-5-7-12/h12-14,17H,2-11H2,1H3/t13-,14?/m0/s1
InChIKeyBZBVFWJUOYZSCC-LSLKUGRBSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-hydroxy-2-(propan-2-yl)pyrrolidine-1-carboxylate
CID 23589003
Tert-butyl 4-hydroxy-1-azaspiro(4.4)nonane-1-carboxylate
CID 121552731
tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 10199348
(4S)-4-(cyclohexylmethyl)-3-[(1S)-3,3-difluoro-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 54052496
(4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 143486936
(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 122212383
tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930963
tert-butyl (3R)-3-[(R)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134931509
ethyl (4R,8S)-4-fluoro-8-hydroxy-6-azabicyclo[3.2.1]octane-6-carboxylate
CID 101845299
tert-butyl (2S,3R)-2-[(1S)-1-fluorohexyl]-3-hydroxypyrrolidine-1-carboxylate
CID 177537527
1-Oxa-4-azaspiro[4.5]decane-4-carboxylic acid, 3-(1-hydroxy-2-methylpropyl)-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
CID 10870719
(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 102274739

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one (CID 18632974) is (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one is CCC(O)CCN1C(=O)OC[C@@H]1CC1CCCCC1.
What is the InChIKey of (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one?
The InChIKey is BZBVFWJUOYZSCC-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-14(17)8-9-16-13(11-19-15(16)18)10-12-6-4-3-5-7-12/h12-14,17H,2-11H2,1H3/t13-,14?/m0/s1.
What are the key properties of (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one?
(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one has a molecular weight of 269.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18632974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).