(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one

C9H17NO3 — CID 10797671

IUPAC(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one
SMILESCCCCC[C@H]1NC(=O)O[C@@H]1CO
InChIInChI=1S/C9H17NO3/c1-2-3-4-5-7-8(6-11)13-9(12)10-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8-/m1/s1
InChIKeyIAQVMUQLUCBVGM-HTQZYQBOSA-N
MW187.24 g/mol
LogP1.04
Rot. Bonds5

About (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one

(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one (PubChem CID 10797671) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one
PubChem CID10797671
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one
SMILESCCCCC[C@H]1NC(=O)O[C@@H]1CO
InChIInChI=1S/C9H17NO3/c1-2-3-4-5-7-8(6-11)13-9(12)10-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8-/m1/s1
InChIKeyIAQVMUQLUCBVGM-HTQZYQBOSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one (CID 10797671) is (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one is CCCCC[C@H]1NC(=O)O[C@@H]1CO.
What is the InChIKey of (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one?
The InChIKey is IAQVMUQLUCBVGM-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-5-7-8(6-11)13-9(12)10-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8-/m1/s1.
What are the key properties of (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one?
(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10797671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).