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

C10H7Cl2NO2 — CID 4663588

IUPAC[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C10H7Cl2NO2/c11-8-2-1-6(3-9(8)12)10-4-7(5-14)13-15-10/h1-4,14H,5H2
InChIKeyXDHFBKUYZJPSFQ-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.14
Rot. Bonds2

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

[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol (PubChem CID 4663588) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol
PubChem CID4663588
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C10H7Cl2NO2/c11-8-2-1-6(3-9(8)12)10-4-7(5-14)13-15-10/h1-4,14H,5H2
InChIKeyXDHFBKUYZJPSFQ-UHFFFAOYSA-N
XLogP3.14
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
5-(2-Chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1090977
5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
CID 1133644
(3-(4-Chlorophenyl)-5-isoxazolyl)methanol
CID 2763309
3-(4-Chlorophenyl)-5-isoxazolecarboxylic acid
CID 2763372
(5-(4-Methylphenyl)-3-isoxazolyl)methanol
CID 23006256
[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]methanol
CID 3613526
Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
CID 3154111
1-[3-(4-Chlorophenyl)-5-isoxazolyl]-1-ethanol
CID 2763374
5-(4-Chlorophenyl)-1,2-oxazole-3-carbaldehyde
CID 16217816
5-(2,4-Dichlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1302354
3-(3-Chlorophenyl)isoxazole-5-carboxylic acid
CID 33787232

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol (CID 4663588) is [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol is OCc1cc(-c2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is XDHFBKUYZJPSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-8-2-1-6(3-9(8)12)10-4-7(5-14)13-15-10/h1-4,14H,5H2.
What are the key properties of [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol?
[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 244.08 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 4663588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).