4-oxo-1,3-oxazolidine-2-carbaldehyde

C4H5NO3 — CID 54534694

IUPAC4-oxo-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC(=O)CO1
InChIInChI=1S/C4H5NO3/c6-1-4-5-3(7)2-8-4/h1,4H,2H2,(H,5,7)
InChIKeyMJXJKLWCYICIBO-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.34
Rot. Bonds1

About 4-oxo-1,3-oxazolidine-2-carbaldehyde

4-oxo-1,3-oxazolidine-2-carbaldehyde (PubChem CID 54534694) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 4-oxo-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-oxo-1,3-oxazolidine-2-carbaldehyde
PubChem CID54534694
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name4-oxo-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC(=O)CO1
InChIInChI=1S/C4H5NO3/c6-1-4-5-3(7)2-8-4/h1,4H,2H2,(H,5,7)
InChIKeyMJXJKLWCYICIBO-UHFFFAOYSA-N
XLogP-1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethyl)-1,3-oxazolidin-4-one
CID 154179037
(2S)-2-(trichloromethyl)-1,3-oxazolidin-4-one
CID 95562008
(4aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 121288212
6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2-carbaldehyde
CID 174698698
(4aR,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carbaldehyde
CID 156649005
6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one
CID 135212645
7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
CID 175827998
4-oxoimidazolidine-2-carbaldehyde
CID 22006153
4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
CID 157231953
6-(ethylaminomethyl)morpholin-3-one
CID 105430931
(5S,6R)-5-[[(4S,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-6-methylmorpholin-3-one
CID 155041383
1,3-oxazinane-2-carbaldehyde
CID 174640966

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 4-oxo-1,3-oxazolidine-2-carbaldehyde (CID 54534694) is 4-oxo-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 4-oxo-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 4-oxo-1,3-oxazolidine-2-carbaldehyde is O=CC1NC(=O)CO1.
What is the InChIKey of 4-oxo-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is MJXJKLWCYICIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-1-4-5-3(7)2-8-4/h1,4H,2H2,(H,5,7).
What are the key properties of 4-oxo-1,3-oxazolidine-2-carbaldehyde?
4-oxo-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 115.09 g/mol, XLogP of -1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 54534694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).