5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole

C10H7Cl2NO — CID 140993924

IUPAC5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole
SMILESCc1cnoc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H7Cl2NO/c1-6-5-13-14-10(6)9-7(11)3-2-4-8(9)12/h2-5H,1H3
InChIKeyCNVVSBQOCUNASN-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.96
Rot. Bonds1

About 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole

5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole (PubChem CID 140993924) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole
PubChem CID140993924
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole
SMILESCc1cnoc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H7Cl2NO/c1-6-5-13-14-10(6)9-7(11)3-2-4-8(9)12/h2-5H,1H3
InChIKeyCNVVSBQOCUNASN-UHFFFAOYSA-N
XLogP3.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986361
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 2726389
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434464
5-(3-chlorophenyl)-1,2-oxazol-4-amine
CID 82400734
5-chloro-1,4-dimethylanthracene-9,10-dione
CID 141467229
2-(1-chloroethyl)-5-(2,6-dichlorophenyl)-1,3-oxazole
CID 65180218
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 2742677
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole (CID 140993924) is 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole is Cc1cnoc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole?
The InChIKey is CNVVSBQOCUNASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-6-5-13-14-10(6)9-7(11)3-2-4-8(9)12/h2-5H,1H3.
What are the key properties of 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole?
5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole has a molecular weight of 228.08 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 140993924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).