[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone

C17H11Cl2NO3 — CID 162407806

IUPAC[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C17H11Cl2NO3/c18-13-7-4-8-14(19)17(13)22-10-12-9-15(20-23-12)16(21)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyXVJVQOLPXVRGHV-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.79
Rot. Bonds5

About [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone

[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone (PubChem CID 162407806) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone
PubChem CID162407806
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C17H11Cl2NO3/c18-13-7-4-8-14(19)17(13)22-10-12-9-15(20-23-12)16(21)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyXVJVQOLPXVRGHV-UHFFFAOYSA-N
XLogP4.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chlorophenyl 5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 16015761
5-[5-[2,6-Dichloro-4-(3-furyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515427
5-[5-[2,6-Dichloro-4-(5-methyl-2-furyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515428
3-(4-Chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole
CID 1480805
5-[(2,4-Dichlorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1480809
3-(4-Chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole
CID 1480824
5-(2-Chlorophenyl)-3-[(2,5-dichlorophenoxy)methyl]-1,2-oxazole
CID 1484774
5-(Phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[7-(2-Chloro-4-methyl-phenoxy)heptyl]-3-methyl-isoxazole
CID 5271204
5-[(3,4-Dichlorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484370
(E)-1-[4-[[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]-3-phenylprop-2-en-1-one
CID 132578485
(E)-1-[4-[[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]-3-phenylprop-2-en-1-one
CID 132578487

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone?
The IUPAC name of [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone (CID 162407806) is [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone?
The canonical SMILES for [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1cc(COc2c(Cl)cccc2Cl)on1.
What is the InChIKey of [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone?
The InChIKey is XVJVQOLPXVRGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c18-13-7-4-8-14(19)17(13)22-10-12-9-15(20-23-12)16(21)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone?
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone has a molecular weight of 348.19 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone is sourced from PubChem (CID 162407806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).