2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone

C18H18ClNO3 — CID 110740545

IUPAC2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1OC(c2ccccc2)CN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-13-20(11-17(23-13)14-5-3-2-4-6-14)18(21)12-22-16-9-7-15(19)8-10-16/h2-10,13,17H,11-12H2,1H3
InChIKeyHFLQHMBHFSNMEY-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.66
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone

2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 110740545) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID110740545
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1OC(c2ccccc2)CN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-13-20(11-17(23-13)14-5-3-2-4-6-14)18(21)12-22-16-9-7-15(19)8-10-16/h2-10,13,17H,11-12H2,1H3
InChIKeyHFLQHMBHFSNMEY-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740566
2-(2-methylphenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740563
1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-2-phenylethanone
CID 110740541
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
2-(2-methoxyphenyl)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740561
(4-methoxyphenyl)-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740536
2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
CID 90566753
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 95138688
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone
CID 110740805
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone (CID 110740545) is 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone is CC1OC(c2ccccc2)CN1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is HFLQHMBHFSNMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-13-20(11-17(23-13)14-5-3-2-4-6-14)18(21)12-22-16-9-7-15(19)8-10-16/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone?
2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 331.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 110740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).