(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine

C12H15F2NO — CID 145228956

IUPAC(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine
SMILESCCN1C[C@@H](C)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C12H15F2NO/c1-3-15-7-8(2)12(16-15)9-4-5-10(13)11(14)6-9/h4-6,8,12H,3,7H2,1-2H3/t8-,12-/m1/s1
InChIKeyXOSMAOSMGCQXSW-PRHODGIISA-N
MW227.25 g/mol
LogP2.91
Rot. Bonds2

About (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine

(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine (PubChem CID 145228956) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine
PubChem CID145228956
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine
SMILESCCN1C[C@@H](C)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C12H15F2NO/c1-3-15-7-8(2)12(16-15)9-4-5-10(13)11(14)6-9/h4-6,8,12H,3,7H2,1-2H3/t8-,12-/m1/s1
InChIKeyXOSMAOSMGCQXSW-PRHODGIISA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Iodomethyl)-3-methyl-1-phenylmethoxy-3-(3,3,3-trifluoropropyl)pyrrolidine
CID 164686761
(1R,2R)-2-methyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylbutan-1-ol
CID 11776842
(2S,3aR)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
CID 12842095
2-Methyl-5-phenylisoxazolidine
CID 11051981
1-(4-Fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 9837417
(1S,2S)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 9860705
2-Methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 14459013
(1R,2R)-2-Methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 14459015
1-[Bis(4-fluorophenyl)methoxy]piperidine
CID 19438334
1-[(4-Fluorophenyl)-phenylmethoxy]piperidine
CID 19874237
3-(3,4-Difluorophenyl)-1-Isobutyl-3-Methoxypyrrolidine-1-Oxide
CID 46207756
1-Butyl-3-(3,4-Difluorophenyl)-3-Methoxypyrrolidine-1-Oxide
CID 46207758

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine?
The IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine (CID 145228956) is (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine.
What is the SMILES notation for (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine?
The canonical SMILES for (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine is CCN1C[C@@H](C)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine?
The InChIKey is XOSMAOSMGCQXSW-PRHODGIISA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-15-7-8(2)12(16-15)9-4-5-10(13)11(14)6-9/h4-6,8,12H,3,7H2,1-2H3/t8-,12-/m1/s1.
What are the key properties of (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine?
(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine has a molecular weight of 227.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine is sourced from PubChem (CID 145228956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).