4,6-dichloro-2-propan-2-yl-1,3-benzoxazole

C10H9Cl2NO — CID 82231317

IUPAC4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C10H9Cl2NO/c1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10/h3-5H,1-2H3
InChIKeyNMYPOCZPOZYRRX-UHFFFAOYSA-N
MW230.09 g/mol
LogP4.26
Rot. Bonds1

About 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole

4,6-dichloro-2-propan-2-yl-1,3-benzoxazole (PubChem CID 82231317) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
PubChem CID82231317
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C10H9Cl2NO/c1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10/h3-5H,1-2H3
InChIKeyNMYPOCZPOZYRRX-UHFFFAOYSA-N
XLogP4.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole (CID 82231317) is 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2c(Cl)cc(Cl)cc2o1.
What is the InChIKey of 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is NMYPOCZPOZYRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10/h3-5H,1-2H3.
What are the key properties of 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole?
4,6-dichloro-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 230.09 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 82231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).