(4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol

C9H17NO3 — CID 130523739

IUPAC(4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol
SMILESO[C@H]1CON(CC2CCOCC2)C1
InChIInChI=1S/C9H17NO3/c11-9-6-10(13-7-9)5-8-1-3-12-4-2-8/h8-9,11H,1-7H2/t9-/m1/s1
InChIKeyWKQSSCDIDFTWAG-SECBINFHSA-N
MW187.24 g/mol
LogP0.02
Rot. Bonds2

About (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol

(4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol (PubChem CID 130523739) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name(4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol
PubChem CID130523739
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol
SMILESO[C@H]1CON(CC2CCOCC2)C1
InChIInChI=1S/C9H17NO3/c11-9-6-10(13-7-9)5-8-1-3-12-4-2-8/h8-9,11H,1-7H2/t9-/m1/s1
InChIKeyWKQSSCDIDFTWAG-SECBINFHSA-N
XLogP0.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol?
The IUPAC name of (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol (CID 130523739) is (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol.
What is the SMILES notation for (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol?
The canonical SMILES for (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol is O[C@H]1CON(CC2CCOCC2)C1.
What is the InChIKey of (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol?
The InChIKey is WKQSSCDIDFTWAG-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO3/c11-9-6-10(13-7-9)5-8-1-3-12-4-2-8/h8-9,11H,1-7H2/t9-/m1/s1.
What are the key properties of (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol?
(4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol has a molecular weight of 187.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(oxan-4-ylmethyl)-1,2-oxazolidin-4-ol is sourced from PubChem (CID 130523739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).