[3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol

C27H25Cl2NO4 — CID 150542873

IUPAC[3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2cccc(CO)c2)cc1
InChIInChI=1S/C27H25Cl2NO4/c1-17(2)27-22(26(30-34-27)25-23(28)7-4-8-24(25)29)16-33-20-11-9-18(10-12-20)15-32-21-6-3-5-19(13-21)14-31/h3-13,17,31H,14-16H2,1-2H3
InChIKeyIGGHIUJLLYOVNI-UHFFFAOYSA-N
MW498.41 g/mol
LogP7.42
Rot. Bonds9

About [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol

[3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol (PubChem CID 150542873) has the molecular formula C27H25Cl2NO4 and a molecular weight of 498.41 g/mol. Its IUPAC name is [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol
PubChem CID150542873
Molecular FormulaC27H25Cl2NO4
Molecular Weight498.41 g/mol
Exact Mass497.12
IUPAC Name[3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2cccc(CO)c2)cc1
InChIInChI=1S/C27H25Cl2NO4/c1-17(2)27-22(26(30-34-27)25-23(28)7-4-8-24(25)29)16-33-20-11-9-18(10-12-20)15-32-21-6-3-5-19(13-21)14-31/h3-13,17,31H,14-16H2,1-2H3
InChIKeyIGGHIUJLLYOVNI-UHFFFAOYSA-N
XLogP7.42
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol with MolForge

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Related Compounds

GW-4064
CID 9893571
Px-102
CID 118374999
4-(2-(2-Chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl)methoxy)phenyl)cyclopropyl)benzoic acid
CID 50943003
Gsk-8062
CID 16214849
6-(4-{[3-(2,6-Dichlorophenyl)-5-isopropylisoxazol-4-yl]methoxy}phenyl)-2-naphthoic acid
CID 24739170
7-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-naphthalenecarboxylic acid
CID 24739171
3-[(E)-2-[2-chloro-4-[[3-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
CID 44143573
7-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-naphthalenecarboxylic acid
CID 24739173
5-[4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 25131698
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid
CID 25132408
4-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-2-naphthalenyl]benzoic acid
CID 25165769
3-(6-((3-(2,6-Dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)naphthalen-2-yl)benzoic acid
CID 25166549

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol (CID 150542873) is [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2cccc(CO)c2)cc1.
What is the InChIKey of [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
The InChIKey is IGGHIUJLLYOVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2NO4/c1-17(2)27-22(26(30-34-27)25-23(28)7-4-8-24(25)29)16-33-20-11-9-18(10-12-20)15-32-21-6-3-5-19(13-21)14-31/h3-13,17,31H,14-16H2,1-2H3.
What are the key properties of [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
[3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol has a molecular weight of 498.41 g/mol, XLogP of 7.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 150542873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).