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

C18H15Cl2NO4 — CID 131868254

IUPAC[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)c2CO)c(OC)c1
InChIInChI=1S/C18H15Cl2NO4/c1-23-11-4-6-13(16(8-11)24-2)17-14(9-22)18(25-21-17)12-5-3-10(19)7-15(12)20/h3-8,22H,9H2,1-2H3
InChIKeyKDYVBDAPDJNGKU-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.82
Rot. Bonds5

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

[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868254) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868254
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)c2CO)c(OC)c1
InChIInChI=1S/C18H15Cl2NO4/c1-23-11-4-6-13(16(8-11)24-2)17-14(9-22)18(25-21-17)12-5-3-10(19)7-15(12)20/h3-8,22H,9H2,1-2H3
InChIKeyKDYVBDAPDJNGKU-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

[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868348
[5-(2,4-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867302
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131868310
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
[5-(2,3-dichlorophenyl)-3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867931
[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-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868323

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131868254) is [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol is COc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)c2CO)c(OC)c1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is KDYVBDAPDJNGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-23-11-4-6-13(16(8-11)24-2)17-14(9-22)18(25-21-17)12-5-3-10(19)7-15(12)20/h3-8,22H,9H2,1-2H3.
What are the key properties of [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-(2,4-dichlorophenyl)-3-(2,4-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 [5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).