7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole

C19H13Br2NO — CID 95910719

IUPAC7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3cccc4c(Br)cccc34)oc2c(Br)c1C
InChIInChI=1S/C19H13Br2NO/c1-10-9-16-18(17(21)11(10)2)23-19(22-16)14-7-3-6-13-12(14)5-4-8-15(13)20/h3-9H,1-2H3
InChIKeyQOPSTSMXZXUGHL-UHFFFAOYSA-N
MW431.13 g/mol
LogP6.79
Rot. Bonds1

About 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole

7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole (PubChem CID 95910719) has the molecular formula C19H13Br2NO and a molecular weight of 431.13 g/mol. Its IUPAC name is 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
PubChem CID95910719
Molecular FormulaC19H13Br2NO
Molecular Weight431.13 g/mol
Exact Mass428.94
IUPAC Name7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3cccc4c(Br)cccc34)oc2c(Br)c1C
InChIInChI=1S/C19H13Br2NO/c1-10-9-16-18(17(21)11(10)2)23-19(22-16)14-7-3-6-13-12(14)5-4-8-15(13)20/h3-9H,1-2H3
InChIKeyQOPSTSMXZXUGHL-UHFFFAOYSA-N
XLogP6.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.13
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690900
7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690923
3-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
CID 28690975
2-(3-bromo-2-methylphenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 91674975
7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
7-bromo-2-(3-chloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690953
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295
2-(5-bromonaphthalen-1-yl)-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole
CID 56772315
2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 81496027
[5-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiourea
CID 28691048
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole (CID 95910719) is 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole is Cc1cc2nc(-c3cccc4c(Br)cccc34)oc2c(Br)c1C.
What is the InChIKey of 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole?
The InChIKey is QOPSTSMXZXUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2NO/c1-10-9-16-18(17(21)11(10)2)23-19(22-16)14-7-3-6-13-12(14)5-4-8-15(13)20/h3-9H,1-2H3.
What are the key properties of 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole?
7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole has a molecular weight of 431.13 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 95910719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).