3-butyl-2-phenyl-1,3-oxazolidine

C13H19NO — CID 17386684

IUPAC3-butyl-2-phenyl-1,3-oxazolidine
SMILESCCCCN1CCOC1c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-9-14-10-11-15-13(14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyYWYNAMMQZQZLDY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.82
Rot. Bonds4

About 3-butyl-2-phenyl-1,3-oxazolidine

3-butyl-2-phenyl-1,3-oxazolidine (PubChem CID 17386684) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-butyl-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-butyl-2-phenyl-1,3-oxazolidine
PubChem CID17386684
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-butyl-2-phenyl-1,3-oxazolidine
SMILESCCCCN1CCOC1c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-9-14-10-11-15-13(14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyYWYNAMMQZQZLDY-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)-2-phenyl-1,3-oxazolidine
CID 14934066
1-butyl-2-phenylpiperidine
CID 10036306
(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine
CID 11899512
(2R)-3-butyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 129405495
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
CID 11889232
2-butyl-5-phenyldiazinan-1-amine
CID 174328698
(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine
CID 7350920
2-(4-ethylphenyl)-3-methyl-1,3-oxazolidine
CID 82111871
[(3S)-2-butyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]methanamine
CID 125478912
1-butyl-3,4-diphenylpiperidine;hydrochloride
CID 3030420
(3S,5S)-1-butyl-3-chloro-5-phenylpiperidine
CID 101182718

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-phenyl-1,3-oxazolidine?
The IUPAC name of 3-butyl-2-phenyl-1,3-oxazolidine (CID 17386684) is 3-butyl-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-butyl-2-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-butyl-2-phenyl-1,3-oxazolidine is CCCCN1CCOC1c1ccccc1.
What is the InChIKey of 3-butyl-2-phenyl-1,3-oxazolidine?
The InChIKey is YWYNAMMQZQZLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-9-14-10-11-15-13(14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of 3-butyl-2-phenyl-1,3-oxazolidine?
3-butyl-2-phenyl-1,3-oxazolidine has a molecular weight of 205.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 17386684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).