5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole

C14H9Cl2NO2 — CID 15592237

IUPAC5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1ccc(-c2onc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C14H9Cl2NO2/c1-18-13-5-2-8(6-11(13)16)14-10-7-9(15)3-4-12(10)17-19-14/h2-7H,1H3
InChIKeyAJOFOHUGDYKRST-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.81
Rot. Bonds2

About 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole

5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole (PubChem CID 15592237) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole.

Molecular Properties

Compound Name5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole
PubChem CID15592237
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole
SMILESCOc1ccc(-c2onc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C14H9Cl2NO2/c1-18-13-5-2-8(6-11(13)16)14-10-7-9(15)3-4-12(10)17-19-14/h2-7H,1H3
InChIKeyAJOFOHUGDYKRST-UHFFFAOYSA-N
XLogP4.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
methyl 3-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]prop-2-enoate
CID 945358
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
5-[3,6-bis(4-methylphenyl)pyridazin-4-yl]-3-(4-chlorophenyl)-2,1-benzoxazole
CID 18874666
4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
CID 82092078

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole?
The IUPAC name of 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole (CID 15592237) is 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole.
What is the SMILES notation for 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole?
The canonical SMILES for 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole is COc1ccc(-c2onc3ccc(Cl)cc23)cc1Cl.
What is the InChIKey of 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole?
The InChIKey is AJOFOHUGDYKRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c1-18-13-5-2-8(6-11(13)16)14-10-7-9(15)3-4-12(10)17-19-14/h2-7H,1H3.
What are the key properties of 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole?
5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole has a molecular weight of 294.14 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole is sourced from PubChem (CID 15592237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).