4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one

C6H12N2O3 — CID 504012

IUPAC4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one
SMILESNC1CON(CCCO)C1=O
InChIInChI=1S/C6H12N2O3/c7-5-4-11-8(6(5)10)2-1-3-9/h5,9H,1-4,7H2
InChIKeyVXTDCDOBDYYLAW-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.53
Rot. Bonds3

About 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one

4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one (PubChem CID 504012) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one
PubChem CID504012
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one
SMILESNC1CON(CCCO)C1=O
InChIInChI=1S/C6H12N2O3/c7-5-4-11-8(6(5)10)2-1-3-9/h5,9H,1-4,7H2
InChIKeyVXTDCDOBDYYLAW-UHFFFAOYSA-N
XLogP-1.53
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one?
The IUPAC name of 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one (CID 504012) is 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one is NC1CON(CCCO)C1=O.
What is the InChIKey of 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one?
The InChIKey is VXTDCDOBDYYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-5-4-11-8(6(5)10)2-1-3-9/h5,9H,1-4,7H2.
What are the key properties of 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one?
4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one has a molecular weight of 160.17 g/mol, XLogP of -1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-hydroxypropyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 504012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).