3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol

C8H17NO2 — CID 19939671

IUPAC3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol
SMILESCC(C)(CCO)N1CCOC1
InChIInChI=1S/C8H17NO2/c1-8(2,3-5-10)9-4-6-11-7-9/h10H,3-7H2,1-2H3
InChIKeyWQRJQFJWWIIYRL-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.44
Rot. Bonds3

About 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol

3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol (PubChem CID 19939671) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol
PubChem CID19939671
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol
SMILESCC(C)(CCO)N1CCOC1
InChIInChI=1S/C8H17NO2/c1-8(2,3-5-10)9-4-6-11-7-9/h10H,3-7H2,1-2H3
InChIKeyWQRJQFJWWIIYRL-UHFFFAOYSA-N
XLogP0.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol?
The IUPAC name of 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol (CID 19939671) is 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol?
The canonical SMILES for 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol is CC(C)(CCO)N1CCOC1.
What is the InChIKey of 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol?
The InChIKey is WQRJQFJWWIIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3-5-10)9-4-6-11-7-9/h10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol?
3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,3-oxazolidin-3-yl)butan-1-ol is sourced from PubChem (CID 19939671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).