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

C12H16ClNO — CID 3056410

IUPAC3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine
SMILESCCC(c1ccc(Cl)cc1)N1CCOC1
InChIInChI=1S/C12H16ClNO/c1-2-12(14-7-8-15-9-14)10-3-5-11(13)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyLQGVBUNRYCGGFG-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.08
Rot. Bonds3

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

3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine (PubChem CID 3056410) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine
PubChem CID3056410
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine
SMILESCCC(c1ccc(Cl)cc1)N1CCOC1
InChIInChI=1S/C12H16ClNO/c1-2-12(14-7-8-15-9-14)10-3-5-11(13)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyLQGVBUNRYCGGFG-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine?
The IUPAC name of 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine (CID 3056410) is 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine?
The canonical SMILES for 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine is CCC(c1ccc(Cl)cc1)N1CCOC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine?
The InChIKey is LQGVBUNRYCGGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-12(14-7-8-15-9-14)10-3-5-11(13)6-4-10/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine?
3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine has a molecular weight of 225.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)propyl]-1,3-oxazolidine is sourced from PubChem (CID 3056410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).