7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole

C10H9BrClNO — CID 82095523

IUPAC7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(Cl)cc(Br)c2o1
InChIInChI=1S/C10H9BrClNO/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3
InChIKeyULJVWIZFHPENQP-UHFFFAOYSA-N
MW274.55 g/mol
LogP4.37
Rot. Bonds1

About 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole

7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole (PubChem CID 82095523) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
PubChem CID82095523
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC Name7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(Cl)cc(Br)c2o1
InChIInChI=1S/C10H9BrClNO/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3
InChIKeyULJVWIZFHPENQP-UHFFFAOYSA-N
XLogP4.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-tert-butyl-5-chloro-1,3-benzoxazole
CID 82095551
5-bromo-2-propan-2-yl-1,3-benzoxazole-7-carbaldehyde
CID 83902756
6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82230256
3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 107675982
7-bromo-2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1,3-benzoxazole
CID 95910570
7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole
CID 130063611
7-bromo-2-chloro-5-methyl-1,3-benzoxazole
CID 62369365
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
CID 144879686
1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane
CID 166557075
4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
CID 82231317
7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82231467
7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 82233441

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole (CID 82095523) is 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2cc(Cl)cc(Br)c2o1.
What is the InChIKey of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is ULJVWIZFHPENQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3.
What are the key properties of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole?
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 274.55 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 82095523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).