3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one

C7H14N2O2 — CID 129126776

IUPAC3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCNN1C(=O)OCC1C(C)C
InChIInChI=1S/C7H14N2O2/c1-5(2)6-4-11-7(10)9(6)8-3/h5-6,8H,4H2,1-3H3
InChIKeyKPZNRNHXEACBMS-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.60
Rot. Bonds2

About 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one

3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 129126776) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID129126776
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCNN1C(=O)OCC1C(C)C
InChIInChI=1S/C7H14N2O2/c1-5(2)6-4-11-7(10)9(6)8-3/h5-6,8H,4H2,1-3H3
InChIKeyKPZNRNHXEACBMS-UHFFFAOYSA-N
XLogP0.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 129126776) is 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one is CNN1C(=O)OCC1C(C)C.
What is the InChIKey of 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KPZNRNHXEACBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)6-4-11-7(10)9(6)8-3/h5-6,8H,4H2,1-3H3.
What are the key properties of 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 129126776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).