2-chloro-1,3-oxazolidine

C3H6ClNO — CID 67400944

IUPAC2-chloro-1,3-oxazolidine
SMILESClC1NCCO1
InChIInChI=1S/C3H6ClNO/c4-3-5-1-2-6-3/h3,5H,1-2H2
InChIKeyTWRPTPMCONGYPF-UHFFFAOYSA-N
MW107.54 g/mol
LogP0.13
Rot. Bonds

About 2-chloro-1,3-oxazolidine

2-chloro-1,3-oxazolidine (PubChem CID 67400944) has the molecular formula C3H6ClNO and a molecular weight of 107.54 g/mol. Its IUPAC name is 2-chloro-1,3-oxazolidine.

Molecular Properties

Compound Name2-chloro-1,3-oxazolidine
PubChem CID67400944
Molecular FormulaC3H6ClNO
Molecular Weight107.54 g/mol
Exact Mass107.01
IUPAC Name2-chloro-1,3-oxazolidine
SMILESClC1NCCO1
InChIInChI=1S/C3H6ClNO/c4-3-5-1-2-6-3/h3,5H,1-2H2
InChIKeyTWRPTPMCONGYPF-UHFFFAOYSA-N
XLogP0.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.54
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,3-Oxazolidine
CID 536683
3-Oxazolidinium chloride
CID 70516418
Oxazolidinium bromide
CID 129786065
Oxazolidinium iodide
CID 129813257
2-Fluoro-1,3-oxazolidine
CID 21916574
5-Fluoro-1,3-oxazolidine
CID 153951546
Oxazolidin-2-ylidene palladium
CID 129663046
2-Lithiooxazolidine
CID 129675664
2-Stannyloxazolidine
CID 129676006
2,4-Dichloro-1,3-oxazolidine
CID 17941560
Azane;1,3-oxazolidine
CID 19920837
Oxazolidine hydrochloride
CID 21317004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-oxazolidine?
The IUPAC name of 2-chloro-1,3-oxazolidine (CID 67400944) is 2-chloro-1,3-oxazolidine.
What is the SMILES notation for 2-chloro-1,3-oxazolidine?
The canonical SMILES for 2-chloro-1,3-oxazolidine is ClC1NCCO1.
What is the InChIKey of 2-chloro-1,3-oxazolidine?
The InChIKey is TWRPTPMCONGYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO/c4-3-5-1-2-6-3/h3,5H,1-2H2.
What are the key properties of 2-chloro-1,3-oxazolidine?
2-chloro-1,3-oxazolidine has a molecular weight of 107.54 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-oxazolidine is sourced from PubChem (CID 67400944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).