2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine

C10H20N2O2 — CID 23447106

IUPAC2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine
SMILESC(CCC1NCCO1)CC1NCCO1
InChIInChI=1S/C10H20N2O2/c1(3-9-11-5-7-13-9)2-4-10-12-6-8-14-10/h9-12H,1-8H2
InChIKeyWZAJEPMSCLLEGP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.44
Rot. Bonds5

About 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine

2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine (PubChem CID 23447106) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine
PubChem CID23447106
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine
SMILESC(CCC1NCCO1)CC1NCCO1
InChIInChI=1S/C10H20N2O2/c1(3-9-11-5-7-13-9)2-4-10-12-6-8-14-10/h9-12H,1-8H2
InChIKeyWZAJEPMSCLLEGP-UHFFFAOYSA-N
XLogP0.44
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine
CID 117225837
1-[2-(1,3-oxazolidin-2-yl)ethoxy]ethanol
CID 141360794
2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 91545902
2-(oxan-4-ylmethyl)-1,3-oxazolidine
CID 117225640
2-(ethylsulfonylmethyl)-1,3-oxazolidine
CID 154189190
2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
CID 68522926
2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid
CID 165399635
4-(1,3-oxazolidin-2-ylmethyl)phenol
CID 117225790
2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride
CID 117225781
1-(1,3-oxazolidin-2-ylmethyl)cyclobutane-1-carbothioamide
CID 57001606
3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
CID 117225725
2-(2-methylpropyl)-1,3-oxazinane
CID 14342983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine?
The IUPAC name of 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine (CID 23447106) is 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine.
What is the SMILES notation for 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine?
The canonical SMILES for 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine is C(CCC1NCCO1)CC1NCCO1.
What is the InChIKey of 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine?
The InChIKey is WZAJEPMSCLLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1(3-9-11-5-7-13-9)2-4-10-12-6-8-14-10/h9-12H,1-8H2.
What are the key properties of 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine?
2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine has a molecular weight of 200.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine is sourced from PubChem (CID 23447106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).