1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone

C18H17Cl2NO3 — CID 10737599

IUPAC1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-12(22)21-10-17(11-23-16-8-6-15(20)7-9-16)24-18(21)13-2-4-14(19)5-3-13/h2-9,17-18H,10-11H2,1H3/t17-,18+/m0/s1
InChIKeyFFQVDRITTCXBHI-ZWKOTPCHSA-N
MW366.24 g/mol
LogP4.32
Rot. Bonds4

About 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone

1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone (PubChem CID 10737599) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone
PubChem CID10737599
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-12(22)21-10-17(11-23-16-8-6-15(20)7-9-16)24-18(21)13-2-4-14(19)5-3-13/h2-9,17-18H,10-11H2,1H3/t17-,18+/m0/s1
InChIKeyFFQVDRITTCXBHI-ZWKOTPCHSA-N
XLogP4.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone with MolForge

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Related Compounds

(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide
CID 10672289
(2R,4R)-4-[(4-chlorophenoxy)methyl]-1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 1253453
2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740545
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine
CID 117068766
[2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
CID 82120405
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
2-[4-[[(2S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methoxy]phenyl]ethanol
CID 54082836
1-[(2R,4S)-2-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxypyrrolidin-1-yl]ethanone
CID 154753591
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
[(4S,6R)-6-(2,4-dichlorophenyl)-4-(phenoxymethyl)-1,5,2-dioxazinan-2-yl]-phenylmethanone
CID 6553201

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone (CID 10737599) is 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone is CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is FFQVDRITTCXBHI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-12(22)21-10-17(11-23-16-8-6-15(20)7-9-16)24-18(21)13-2-4-14(19)5-3-13/h2-9,17-18H,10-11H2,1H3/t17-,18+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone?
1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 366.24 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 10737599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).