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

C14H19F2NO2 — CID 145228708

IUPAC(4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine
SMILESCC[C@@H]1CN(CCOC)O[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-10-9-17(6-7-18-2)19-14(10)11-4-5-12(15)13(16)8-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3/t10-,14-/m1/s1
InChIKeyNBVXLSJVLKUEQH-QMTHXVAHSA-N
MW271.31 g/mol
LogP2.93
Rot. Bonds5

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

(4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine (PubChem CID 145228708) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine
PubChem CID145228708
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine
SMILESCC[C@@H]1CN(CCOC)O[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-10-9-17(6-7-18-2)19-14(10)11-4-5-12(15)13(16)8-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3/t10-,14-/m1/s1
InChIKeyNBVXLSJVLKUEQH-QMTHXVAHSA-N
XLogP2.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-Difluorophenyl)-3-methoxy-1-propylpyrrolidine
CID 46196349
3-(3,5-Difluorophenyl)-3-methoxy-1-propylpyrrolidine
CID 46207637
3-(3,4-Difluorophenyl)-3-methoxy-1-propylpyrrolidine
CID 46207638
1-Butyl-3-(3,4-difluorophenyl)-3-methoxypyrrolidine
CID 46207640
1-Sec-Butyl-3-(3,4-Difluorophenyl)-3-Methoxypyrrolidine
CID 46207641
3-(2,3-Difluorophenyl)-1-ethyl-3-methoxypyrrolidine
CID 46219101
3-(3,4-Difluorophenyl)-1-ethyl-3-methoxypyrrolidine
CID 46219222
3-(3,5-Difluorophenyl)-3-methoxy-1-methyl pyrrolidine
CID 46219224
3-(3,5-Difluorophenyl)-1-ethyl-3-methoxypyrrolidine
CID 46219225
(1S)-1-(4-fluorophenyl)-2-[hydroxy(methyl)amino]-3-methylbutan-1-ol
CID 164683715
(1S)-1-(4-fluorophenyl)-2-[hydroxy(propan-2-yl)amino]-3-methylbutan-1-ol
CID 164684529
(1R,2R)-2-methyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylbutan-1-ol
CID 11776842

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine?
The IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine (CID 145228708) is (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine.
What is the SMILES notation for (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine?
The canonical SMILES for (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine is CC[C@@H]1CN(CCOC)O[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine?
The InChIKey is NBVXLSJVLKUEQH-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-10-9-17(6-7-18-2)19-14(10)11-4-5-12(15)13(16)8-11/h4-5,8,10,14H,3,6-7,9H2,1-2H3/t10-,14-/m1/s1.
What are the key properties of (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine?
(4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine has a molecular weight of 271.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine is sourced from PubChem (CID 145228708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).