5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine

C12H16FNO2 — CID 82473414

IUPAC5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine
SMILESCC(C)Oc1ccc(C2CNCO2)cc1F
InChIInChI=1S/C12H16FNO2/c1-8(2)16-11-4-3-9(5-10(11)13)12-6-14-7-15-12/h3-5,8,12,14H,6-7H2,1-2H3
InChIKeyMVTLSNUBPBAHPJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.23
Rot. Bonds3

About 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine

5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine (PubChem CID 82473414) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine
PubChem CID82473414
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine
SMILESCC(C)Oc1ccc(C2CNCO2)cc1F
InChIInChI=1S/C12H16FNO2/c1-8(2)16-11-4-3-9(5-10(11)13)12-6-14-7-15-12/h3-5,8,12,14H,6-7H2,1-2H3
InChIKeyMVTLSNUBPBAHPJ-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane
CID 142891086
2-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-dioxolane;2-propan-2-ylsulfanylpropane
CID 142891085
2-(3-fluoro-4-propan-2-yloxyphenyl)piperidine
CID 82291972
2-(3-chloro-4-propan-2-yloxyphenyl)-5-methylmorpholine
CID 82305769
5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
CID 82472844
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(3,4-difluorophenyl)-6-methyl-1,4-oxazepane
CID 65035224
2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine
CID 82292465
3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
CID 82283172
CID 161270720
CID 161270720
5-(3-chlorophenyl)-1,3-oxazolidine
CID 15261641

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine?
The IUPAC name of 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine (CID 82473414) is 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine?
The canonical SMILES for 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine is CC(C)Oc1ccc(C2CNCO2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine?
The InChIKey is MVTLSNUBPBAHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(2)16-11-4-3-9(5-10(11)13)12-6-14-7-15-12/h3-5,8,12,14H,6-7H2,1-2H3.
What are the key properties of 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine?
5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine has a molecular weight of 225.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 82473414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).