N-(1,3-oxazolidin-5-yl)-2-oxopropanamide

C6H10N2O3 — CID 54127020

IUPACN-(1,3-oxazolidin-5-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)NC1CNCO1
InChIInChI=1S/C6H10N2O3/c1-4(9)6(10)8-5-2-7-3-11-5/h5,7H,2-3H2,1H3,(H,8,10)
InChIKeyNRRLNIJYDQWMDH-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.40
Rot. Bonds2

About N-(1,3-oxazolidin-5-yl)-2-oxopropanamide

N-(1,3-oxazolidin-5-yl)-2-oxopropanamide (PubChem CID 54127020) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is N-(1,3-oxazolidin-5-yl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(1,3-oxazolidin-5-yl)-2-oxopropanamide
PubChem CID54127020
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC NameN-(1,3-oxazolidin-5-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)NC1CNCO1
InChIInChI=1S/C6H10N2O3/c1-4(9)6(10)8-5-2-7-3-11-5/h5,7H,2-3H2,1H3,(H,8,10)
InChIKeyNRRLNIJYDQWMDH-UHFFFAOYSA-N
XLogP-1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazolidin-5-yl)-2-oxopropanamide?
The IUPAC name of N-(1,3-oxazolidin-5-yl)-2-oxopropanamide (CID 54127020) is N-(1,3-oxazolidin-5-yl)-2-oxopropanamide.
What is the SMILES notation for N-(1,3-oxazolidin-5-yl)-2-oxopropanamide?
The canonical SMILES for N-(1,3-oxazolidin-5-yl)-2-oxopropanamide is CC(=O)C(=O)NC1CNCO1.
What is the InChIKey of N-(1,3-oxazolidin-5-yl)-2-oxopropanamide?
The InChIKey is NRRLNIJYDQWMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(9)6(10)8-5-2-7-3-11-5/h5,7H,2-3H2,1H3,(H,8,10).
What are the key properties of N-(1,3-oxazolidin-5-yl)-2-oxopropanamide?
N-(1,3-oxazolidin-5-yl)-2-oxopropanamide has a molecular weight of 158.16 g/mol, XLogP of -1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazolidin-5-yl)-2-oxopropanamide is sourced from PubChem (CID 54127020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).