4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole

C10H9Cl2NO2 — CID 82232169

IUPAC4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole
SMILESCOCCc1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C10H9Cl2NO2/c1-14-3-2-9-13-10-7(12)4-6(11)5-8(10)15-9/h4-5H,2-3H2,1H3
InChIKeyHHRABFRJZNNBAZ-UHFFFAOYSA-N
MW246.09 g/mol
LogP3.32
Rot. Bonds3

About 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole

4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole (PubChem CID 82232169) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole
PubChem CID82232169
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole
SMILESCOCCc1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C10H9Cl2NO2/c1-14-3-2-9-13-10-7(12)4-6(11)5-8(10)15-9/h4-5H,2-3H2,1H3
InChIKeyHHRABFRJZNNBAZ-UHFFFAOYSA-N
XLogP3.32
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
CID 82231317
6,7-dichloro-2-(2-methoxyethyl)-1,3-benzoxazol-5-amine
CID 82232999
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 62588931
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
CID 82720961
2-chloro-5-(2-methoxyethyl)-1,3-benzoxazole
CID 62369370
5-bromo-7-tert-butyl-2-(2-methoxyethyl)-1,3-benzoxazole
CID 82234385
4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine
CID 61412758
4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 110456448
[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]arsane
CID 173259055
2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 114771639
4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
CID 134284162
CID 167501058
CID 167501058

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole?
The IUPAC name of 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole (CID 82232169) is 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole.
What is the SMILES notation for 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole?
The canonical SMILES for 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole is COCCc1nc2c(Cl)cc(Cl)cc2o1.
What is the InChIKey of 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole?
The InChIKey is HHRABFRJZNNBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-14-3-2-9-13-10-7(12)4-6(11)5-8(10)15-9/h4-5H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole?
4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole has a molecular weight of 246.09 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-methoxyethyl)-1,3-benzoxazole is sourced from PubChem (CID 82232169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).