[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol

C18H15Cl2NO4 — CID 131868348

IUPAC[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2onc(-c3cc(Cl)ccc3Cl)c2CO)c1
InChIInChI=1S/C18H15Cl2NO4/c1-23-11-4-6-16(24-2)13(8-11)18-14(9-22)17(21-25-18)12-7-10(19)3-5-15(12)20/h3-8,22H,9H2,1-2H3
InChIKeySKKXWBUKLMZVDJ-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.82
Rot. Bonds5

About [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol

[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868348) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868348
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(OC)c(-c2onc(-c3cc(Cl)ccc3Cl)c2CO)c1
InChIInChI=1S/C18H15Cl2NO4/c1-23-11-4-6-16(24-2)13(8-11)18-14(9-22)17(21-25-18)12-7-10(19)3-5-15(12)20/h3-8,22H,9H2,1-2H3
InChIKeySKKXWBUKLMZVDJ-UHFFFAOYSA-N
XLogP4.82
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107
[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868323
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868265
[5-(2,4-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867302
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[3-(2,5-dichlorophenyl)-5-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131868525

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131868348) is [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol is COc1ccc(OC)c(-c2onc(-c3cc(Cl)ccc3Cl)c2CO)c1.
What is the InChIKey of [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is SKKXWBUKLMZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-23-11-4-6-16(24-2)13(8-11)18-14(9-22)17(21-25-18)12-7-10(19)3-5-15(12)20/h3-8,22H,9H2,1-2H3.
What are the key properties of [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 380.23 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).