2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol

C8H17NO3 — CID 22799476

IUPAC2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)N1CO[C@H](CO)C1
InChIInChI=1S/C8H17NO3/c1-8(2,5-11)9-3-7(4-10)12-6-9/h7,10-11H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVJINTLVSGXRLAX-ZETCQYMHSA-N
MW175.23 g/mol
LogP-0.59
Rot. Bonds3

About 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol

2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol (PubChem CID 22799476) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol
PubChem CID22799476
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)N1CO[C@H](CO)C1
InChIInChI=1S/C8H17NO3/c1-8(2,5-11)9-3-7(4-10)12-6-9/h7,10-11H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVJINTLVSGXRLAX-ZETCQYMHSA-N
XLogP-0.59
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol (CID 22799476) is 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol is CC(C)(CO)N1CO[C@H](CO)C1.
What is the InChIKey of 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol?
The InChIKey is VJINTLVSGXRLAX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,5-11)9-3-7(4-10)12-6-9/h7,10-11H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol?
2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol has a molecular weight of 175.23 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-(hydroxymethyl)-1,3-oxazolidin-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 22799476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).