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

C13H17F2NO2 — CID 134567704

IUPAC(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
SMILESCOCCN1C[C@@H](C)C(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C13H17F2NO2/c1-9-8-16(5-6-17-2)18-13(9)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t9-,13?/m1/s1
InChIKeyNOJFUWXTISLMFW-CGCSKFHYSA-N
MW257.28 g/mol
LogP2.54
Rot. Bonds4

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

(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine (PubChem CID 134567704) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
PubChem CID134567704
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
SMILESCOCCN1C[C@@H](C)C(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C13H17F2NO2/c1-9-8-16(5-6-17-2)18-13(9)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t9-,13?/m1/s1
InChIKeyNOJFUWXTISLMFW-CGCSKFHYSA-N
XLogP2.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine-4-carboxylic acid
CID 134567496
(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 71040970
(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine
CID 145228452
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea
CID 135226429
5-(3,4-difluorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79504700
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 135230308
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylic acid
CID 135226305
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea
CID 135230467
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]phenyl]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 135226363
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 135230316
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
CID 71041197
2-[(3S,4R)-3-amino-4-(3,4-difluorophenyl)pyrrolidin-1-yl]-1-chloro-3-methoxypropan-1-ol
CID 135379397

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The IUPAC name of (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine (CID 134567704) is (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine.
What is the SMILES notation for (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The canonical SMILES for (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine is COCCN1C[C@@H](C)C(c2ccc(F)c(F)c2)O1.
What is the InChIKey of (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The InChIKey is NOJFUWXTISLMFW-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9-8-16(5-6-17-2)18-13(9)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t9-,13?/m1/s1.
What are the key properties of (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine has a molecular weight of 257.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine is sourced from PubChem (CID 134567704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).