[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol

C13H13Cl2NO3 — CID 43516207

IUPAC[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
SMILESCc1noc(C)c1COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C13H13Cl2NO3/c1-7-11(8(2)19-16-7)6-18-13-9(5-17)3-10(14)4-12(13)15/h3-4,17H,5-6H2,1-2H3
InChIKeyUDXPTQCJFATFDA-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.67
Rot. Bonds4

About [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol

[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol (PubChem CID 43516207) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
PubChem CID43516207
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
SMILESCc1noc(C)c1COc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C13H13Cl2NO3/c1-7-11(8(2)19-16-7)6-18-13-9(5-17)3-10(14)4-12(13)15/h3-4,17H,5-6H2,1-2H3
InChIKeyUDXPTQCJFATFDA-UHFFFAOYSA-N
XLogP3.67
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 43516003
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde
CID 28825712
[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
CID 62736229
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol (CID 43516207) is [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol is Cc1noc(C)c1COc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is UDXPTQCJFATFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-7-11(8(2)19-16-7)6-18-13-9(5-17)3-10(14)4-12(13)15/h3-4,17H,5-6H2,1-2H3.
What are the key properties of [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol?
[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 302.16 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 43516207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).