7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine

C10H11BrN2O — CID 84708451

IUPAC7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
SMILESCC(C)Nc1noc2c(Br)cccc12
InChIInChI=1S/C10H11BrN2O/c1-6(2)12-10-7-4-3-5-8(11)9(7)14-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyJKCIBCOHIAKLIT-UHFFFAOYSA-N
MW255.12 g/mol
LogP3.41
Rot. Bonds2

About 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine

7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine (PubChem CID 84708451) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
PubChem CID84708451
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
SMILESCC(C)Nc1noc2c(Br)cccc12
InChIInChI=1S/C10H11BrN2O/c1-6(2)12-10-7-4-3-5-8(11)9(7)14-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyJKCIBCOHIAKLIT-UHFFFAOYSA-N
XLogP3.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
CID 84707795
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
CID 84703063
7-bromo-N-(5-ethyl-2-methoxyphenyl)sulfanyl-1,2-benzoxazol-3-amine
CID 153376407
7-bromo-3-(fluoromethyl)-1,2-benzoxazole
CID 84693211
7-bromo-3-(2-bromoethyl)-1,2-benzoxazole
CID 39097559
3-N-propan-2-yl-1,2-benzoxazole-3,4-diamine
CID 84663359
3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
CID 178166981
8-bromo-N-propan-2-ylquinolin-2-amine
CID 84639829
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
CID 178167058
2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
CID 869819
N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376599

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine (CID 84708451) is 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine is CC(C)Nc1noc2c(Br)cccc12.
What is the InChIKey of 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine?
The InChIKey is JKCIBCOHIAKLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-6(2)12-10-7-4-3-5-8(11)9(7)14-13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine?
7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine has a molecular weight of 255.12 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 84708451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).