3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine

C13H18ClNO — CID 3056414

IUPAC3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine
SMILESCCCC(c1ccc(Cl)cc1)N1CCOC1
InChIInChI=1S/C13H18ClNO/c1-2-3-13(15-8-9-16-10-15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyVHOHRRRCZRFJBJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.47
Rot. Bonds4

About 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine

3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine (PubChem CID 3056414) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine
PubChem CID3056414
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine
SMILESCCCC(c1ccc(Cl)cc1)N1CCOC1
InChIInChI=1S/C13H18ClNO/c1-2-3-13(15-8-9-16-10-15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyVHOHRRRCZRFJBJ-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
4-[3-(3,4-Dichlorophenyl)-3-pyrrolidin-1-ylpropyl]morpholine
CID 54767241
2-[(4-Chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784418
1,1'-[(4-Chlorobenzyl)imino]di(2-propanol)
CID 2846149
2-(4-Chlorophenyl)-2-morpholinoacetonitrile
CID 591795
2-(3-Chlorophenyl)-1-methylpyrrolidine
CID 44387137
Morpholine, 4-(1-(p-chlorophenyl)butyl)-, hydrochloride
CID 3057363
Pyrrolidine, 1-(p-chloro-alpha-isopropylbenzyl)-, hydrochloride
CID 3057464
Pyrrolidine, 1-(1-(p-chlorophenyl)-3-methylbutyl)-, hydrochloride
CID 3057474
Pyrrolidine, 1-(1-(p-chlorophenyl)pentyl)-, hydrochloride
CID 3057476
Pyrrolidine, 1-(m-chloro-alpha-ethylbenzyl)-, hydrochloride
CID 3057458

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine?
The IUPAC name of 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine (CID 3056414) is 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine?
The canonical SMILES for 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine is CCCC(c1ccc(Cl)cc1)N1CCOC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine?
The InChIKey is VHOHRRRCZRFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-3-13(15-8-9-16-10-15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine?
3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine has a molecular weight of 239.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine is sourced from PubChem (CID 3056414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).