7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole

C15H10Br2ClNO — CID 94675137

IUPAC7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
SMILESCCc1cc(Br)c2oc(-c3ccc(Br)c(Cl)c3)nc2c1
InChIInChI=1S/C15H10Br2ClNO/c1-2-8-5-11(17)14-13(6-8)19-15(20-14)9-3-4-10(16)12(18)7-9/h3-7H,2H2,1H3
InChIKeyMRDLLRWVAYQFRZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP6.24
Rot. Bonds2

About 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole

7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole (PubChem CID 94675137) has the molecular formula C15H10Br2ClNO and a molecular weight of 415.51 g/mol. Its IUPAC name is 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
PubChem CID94675137
Molecular FormulaC15H10Br2ClNO
Molecular Weight415.51 g/mol
Exact Mass412.88
IUPAC Name7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
SMILESCCc1cc(Br)c2oc(-c3ccc(Br)c(Cl)c3)nc2c1
InChIInChI=1S/C15H10Br2ClNO/c1-2-8-5-11(17)14-13(6-8)19-15(20-14)9-3-4-10(16)12(18)7-9/h3-7H,2H2,1H3
InChIKeyMRDLLRWVAYQFRZ-UHFFFAOYSA-N
XLogP6.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)-2-chloroaniline
CID 50874428
7-bromo-2-(3,4-dichlorophenyl)-5-methyl-1,3-benzoxazole
CID 51983759
7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 51983755
3-bromo-4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 95910791
(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
CID 17162820
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17162877
5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 17162887
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 17162933
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide
CID 17162837
2-benzhydryl-7-bromo-5-ethyl-1,3-benzoxazole
CID 91673766
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 17162958

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole (CID 94675137) is 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole is CCc1cc(Br)c2oc(-c3ccc(Br)c(Cl)c3)nc2c1.
What is the InChIKey of 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole?
The InChIKey is MRDLLRWVAYQFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClNO/c1-2-8-5-11(17)14-13(6-8)19-15(20-14)9-3-4-10(16)12(18)7-9/h3-7H,2H2,1H3.
What are the key properties of 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole?
7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole has a molecular weight of 415.51 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole is sourced from PubChem (CID 94675137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).