2-butyl-1,2-oxazolidine

C7H15NO — CID 126994308

IUPAC2-butyl-1,2-oxazolidine
SMILESCCCCN1CCCO1
InChIInChI=1S/C7H15NO/c1-2-3-5-8-6-4-7-9-8/h2-7H2,1H3
InChIKeyMBQLVVUWIWXYLY-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.42
Rot. Bonds3

About 2-butyl-1,2-oxazolidine

2-butyl-1,2-oxazolidine (PubChem CID 126994308) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-butyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-butyl-1,2-oxazolidine
PubChem CID126994308
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-butyl-1,2-oxazolidine
SMILESCCCCN1CCCO1
InChIInChI=1S/C7H15NO/c1-2-3-5-8-6-4-7-9-8/h2-7H2,1H3
InChIKeyMBQLVVUWIWXYLY-UHFFFAOYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diethyl-1,2-oxazolidin-2-ium chloride
CID 58721
Isoxazolidine, 2-methyl-
CID 140926
Methoxypyrrolidin
CID 20062766
Ethoxypyrrolidine
CID 22475124
1-Propan-2-yloxypyrrolidine
CID 57497520
Isoxazolidine, 2-(1,1-dimethylethyl)-
CID 144217
Ethane;2-(2,2,2-trifluoroethyl)-1,2-oxazolidine
CID 166529328
2-(3-Fluoropropyl)-4-methyl-1,2-oxazolidine
CID 170951148
2-(3-Fluoropropyl)-1,2-oxazolidine
CID 176014940
2,2-Diethyl-1,2-oxazolidin-2-ium
CID 58722
Propoxy pyrrolidine
CID 18342685
1-Ethenoxypyrrolidine
CID 20598168

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,2-oxazolidine?
The IUPAC name of 2-butyl-1,2-oxazolidine (CID 126994308) is 2-butyl-1,2-oxazolidine.
What is the SMILES notation for 2-butyl-1,2-oxazolidine?
The canonical SMILES for 2-butyl-1,2-oxazolidine is CCCCN1CCCO1.
What is the InChIKey of 2-butyl-1,2-oxazolidine?
The InChIKey is MBQLVVUWIWXYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-5-8-6-4-7-9-8/h2-7H2,1H3.
What are the key properties of 2-butyl-1,2-oxazolidine?
2-butyl-1,2-oxazolidine has a molecular weight of 129.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,2-oxazolidine is sourced from PubChem (CID 126994308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).