3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one

C7H13NO3 — CID 22000693

IUPAC3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(C(C)O)C1C
InChIInChI=1S/C7H13NO3/c1-4-5(2)11-7(10)8(4)6(3)9/h4-6,9H,1-3H3
InChIKeyCNCHQHRBODYNDC-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.55
Rot. Bonds1

About 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one

3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 22000693) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID22000693
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1OC(=O)N(C(C)O)C1C
InChIInChI=1S/C7H13NO3/c1-4-5(2)11-7(10)8(4)6(3)9/h4-6,9H,1-3H3
InChIKeyCNCHQHRBODYNDC-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one (CID 22000693) is 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one is CC1OC(=O)N(C(C)O)C1C.
What is the InChIKey of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is CNCHQHRBODYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-5(2)11-7(10)8(4)6(3)9/h4-6,9H,1-3H3.
What are the key properties of 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one?
3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22000693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).