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

C26H23Cl2NO3 — CID 146311962

IUPAC[3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C26H23Cl2NO3/c1-16(2)26-21(25(29-32-26)24-22(27)7-4-8-23(24)28)15-31-20-11-9-18(10-12-20)19-6-3-5-17(13-19)14-30/h3-13,16,30H,14-15H2,1-2H3
InChIKeyVSTYZNISLXLLMG-UHFFFAOYSA-N
MW468.38 g/mol
LogP7.51
Rot. Bonds7

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

[3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol (PubChem CID 146311962) has the molecular formula C26H23Cl2NO3 and a molecular weight of 468.38 g/mol. Its IUPAC name is [3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol
PubChem CID146311962
Molecular FormulaC26H23Cl2NO3
Molecular Weight468.38 g/mol
Exact Mass467.11
IUPAC Name[3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C26H23Cl2NO3/c1-16(2)26-21(25(29-32-26)24-22(27)7-4-8-23(24)28)15-31-20-11-9-18(10-12-20)19-6-3-5-17(13-19)14-30/h3-13,16,30H,14-15H2,1-2H3
InChIKeyVSTYZNISLXLLMG-UHFFFAOYSA-N
XLogP7.51
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]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
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]-N-propylbenzamide
CID 24776359
5-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-benzofuran-2-carboxylic acid
CID 25131696
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

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]phenyl]methanol?
The IUPAC name of [3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol (CID 146311962) is [3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]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]phenyl]methanol?
The canonical SMILES for [3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2cccc(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]phenyl]methanol?
The InChIKey is VSTYZNISLXLLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2NO3/c1-16(2)26-21(25(29-32-26)24-22(27)7-4-8-23(24)28)15-31-20-11-9-18(10-12-20)19-6-3-5-17(13-19)14-30/h3-13,16,30H,14-15H2,1-2H3.
What are the key properties of [3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol?
[3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]methanol has a molecular weight of 468.38 g/mol, XLogP of 7.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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]phenyl]methanol is sourced from PubChem (CID 146311962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).