1,3-oxazolidin-2-yl deuterioformate

C4H7NO3 — CID 174653404

IUPAC1,3-oxazolidin-2-yl deuterioformate
SMILES[2H]C(=O)OC1NCCO1
InChIInChI=1S/C4H7NO3/c6-3-8-4-5-1-2-7-4/h3-5H,1-2H2/i3D
InChIKeyYUTJBGLQIQZWNE-WFVSFCRTSA-N
MW118.11 g/mol
LogP-0.94
Rot. Bonds1

About 1,3-oxazolidin-2-yl deuterioformate

1,3-oxazolidin-2-yl deuterioformate (PubChem CID 174653404) has the molecular formula C4H7NO3 and a molecular weight of 118.11 g/mol. Its IUPAC name is 1,3-oxazolidin-2-yl deuterioformate.

Molecular Properties

Compound Name1,3-oxazolidin-2-yl deuterioformate
PubChem CID174653404
Molecular FormulaC4H7NO3
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Name1,3-oxazolidin-2-yl deuterioformate
SMILES[2H]C(=O)OC1NCCO1
InChIInChI=1S/C4H7NO3/c6-3-8-4-5-1-2-7-4/h3-5H,1-2H2/i3D
InChIKeyYUTJBGLQIQZWNE-WFVSFCRTSA-N
XLogP-0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

morpholin-2-yl formate
CID 91405229
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018
oxetan-2-yl formate
CID 54348589
2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 54595647
6-fluoro-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 90236159
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate
CID 87369583
1,4-dioxane-2,3-dicarbaldehyde
CID 150021643
1,3-oxazinane-2-carbaldehyde
CID 174640966
3-[2-(1,3-oxazolidin-2-yl)phenyl]oxirene-2-carbaldehyde
CID 54091342
3-methoxy-2-methylmorpholine
CID 174493858
1,4-oxazepane-7-carbaldehyde
CID 152939152

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-2-yl deuterioformate?
The IUPAC name of 1,3-oxazolidin-2-yl deuterioformate (CID 174653404) is 1,3-oxazolidin-2-yl deuterioformate.
What is the SMILES notation for 1,3-oxazolidin-2-yl deuterioformate?
The canonical SMILES for 1,3-oxazolidin-2-yl deuterioformate is [2H]C(=O)OC1NCCO1.
What is the InChIKey of 1,3-oxazolidin-2-yl deuterioformate?
The InChIKey is YUTJBGLQIQZWNE-WFVSFCRTSA-N. The full InChI is InChI=1S/C4H7NO3/c6-3-8-4-5-1-2-7-4/h3-5H,1-2H2/i3D.
What are the key properties of 1,3-oxazolidin-2-yl deuterioformate?
1,3-oxazolidin-2-yl deuterioformate has a molecular weight of 118.11 g/mol, XLogP of -0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-yl deuterioformate is sourced from PubChem (CID 174653404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).