3-amino-4-propan-2-yl-1,3-oxazolidin-2-one

C6H12N2O2 — CID 85312124

IUPAC3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1N
InChIInChI=1S/C6H12N2O2/c1-4(2)5-3-10-6(9)8(5)7/h4-5H,3,7H2,1-2H3
InChIKeyHORXQDKUJVWRKN-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.34
Rot. Bonds1

About 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one

3-amino-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 85312124) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID85312124
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1N
InChIInChI=1S/C6H12N2O2/c1-4(2)5-3-10-6(9)8(5)7/h4-5H,3,7H2,1-2H3
InChIKeyHORXQDKUJVWRKN-UHFFFAOYSA-N
XLogP0.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one (CID 85312124) is 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1N.
What is the InChIKey of 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HORXQDKUJVWRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)5-3-10-6(9)8(5)7/h4-5H,3,7H2,1-2H3.
What are the key properties of 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one?
3-amino-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 85312124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).