7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole

C15H11BrClNO — CID 51983755

IUPAC7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
SMILESCc1cc(Br)c2oc(-c3ccc(C)c(Cl)c3)nc2c1
InChIInChI=1S/C15H11BrClNO/c1-8-5-11(16)14-13(6-8)18-15(19-14)10-4-3-9(2)12(17)7-10/h3-7H,1-2H3
InChIKeyJWSVPKVGCGVQSG-UHFFFAOYSA-N
MW336.62 g/mol
LogP5.53
Rot. Bonds1

About 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole

7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole (PubChem CID 51983755) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
PubChem CID51983755
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
SMILESCc1cc(Br)c2oc(-c3ccc(C)c(Cl)c3)nc2c1
InChIInChI=1S/C15H11BrClNO/c1-8-5-11(16)14-13(6-8)18-15(19-14)10-4-3-9(2)12(17)7-10/h3-7H,1-2H3
InChIKeyJWSVPKVGCGVQSG-UHFFFAOYSA-N
XLogP5.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.62
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(3,4-dichlorophenyl)-5-methyl-1,3-benzoxazole
CID 51983759
7-bromo-2-(3-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 82095605
7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
CID 94675137
7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
7-bromo-2-chloro-5-methyl-1,3-benzoxazole
CID 62369365
7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82095604
4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)-2-chloroaniline
CID 50874428
2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
3-bromo-4-(7-bromo-5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910789
7-bromo-2-(3-chloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690953
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol
CID 136658134

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole (CID 51983755) is 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole is Cc1cc(Br)c2oc(-c3ccc(C)c(Cl)c3)nc2c1.
What is the InChIKey of 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is JWSVPKVGCGVQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c1-8-5-11(16)14-13(6-8)18-15(19-14)10-4-3-9(2)12(17)7-10/h3-7H,1-2H3.
What are the key properties of 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole?
7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 336.62 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 51983755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).