(5R)-5-hexyl-1,3-oxazolidin-2-one

C9H17NO2 — CID 124509762

IUPAC(5R)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H]1CNC(=O)O1
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-8-7-10-9(11)12-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m1/s1
InChIKeyGRSGHOQURGCDFQ-MRVPVSSYSA-N
MW171.24 g/mol
LogP2.07
Rot. Bonds5

About (5R)-5-hexyl-1,3-oxazolidin-2-one

(5R)-5-hexyl-1,3-oxazolidin-2-one (PubChem CID 124509762) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (5R)-5-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-hexyl-1,3-oxazolidin-2-one
PubChem CID124509762
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(5R)-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H]1CNC(=O)O1
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-8-7-10-9(11)12-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m1/s1
InChIKeyGRSGHOQURGCDFQ-MRVPVSSYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Decyloxazolidinone
CID 10220190
(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
CID 90683234
Carbamic acid, hexyl-, octyl ester
CID 11357342
Carbonic acid, monoamide, N-pentyl-, octyl ester
CID 12878170
4-n-Dodecyl-2-oxazolidone
CID 10015248
5-Propyloxazolidin-2-one
CID 18442710
trans-4,5-Di-n-octyl-2-oxazolidone
CID 57109357
4-Hexyl-1,3-oxazolidin-2-one
CID 22057714
(4S,5R)-4-Methyl-5-(n-pentadecyl)-1,3-oxazolidinone
CID 57234797
Ctk0I8889
CID 10986721
(4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one
CID 101150847
4-n-Tetradecyl-2-oxazolidone
CID 129727298

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-hexyl-1,3-oxazolidin-2-one (CID 124509762) is (5R)-5-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-hexyl-1,3-oxazolidin-2-one is CCCCCC[C@@H]1CNC(=O)O1.
What is the InChIKey of (5R)-5-hexyl-1,3-oxazolidin-2-one?
The InChIKey is GRSGHOQURGCDFQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-6-8-7-10-9(11)12-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m1/s1.
What are the key properties of (5R)-5-hexyl-1,3-oxazolidin-2-one?
(5R)-5-hexyl-1,3-oxazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124509762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).