7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine

C10H9BrN2O — CID 84707795

IUPAC7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
SMILESBrc1cccc2c(NC3CC3)noc12
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-2-7-9(8)14-13-10(7)12-6-4-5-6/h1-3,6H,4-5H2,(H,12,13)
InChIKeyQIIFUUFMFGTIKM-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.16
Rot. Bonds2

About 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine

7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine (PubChem CID 84707795) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
PubChem CID84707795
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
SMILESBrc1cccc2c(NC3CC3)noc12
InChIInChI=1S/C10H9BrN2O/c11-8-3-1-2-7-9(8)14-13-10(7)12-6-4-5-6/h1-3,6H,4-5H2,(H,12,13)
InChIKeyQIIFUUFMFGTIKM-UHFFFAOYSA-N
XLogP3.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
CID 84708451
6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane
CID 90883521
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
7-bromo-3-(fluoromethyl)-1,2-benzoxazole
CID 84693211
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
CID 84703063
5-bromo-N-(1,1-dioxothian-4-yl)isoquinolin-1-amine
CID 106537654
5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine
CID 84707797
7-bromo-N-(5-ethyl-2-methoxyphenyl)sulfanyl-1,2-benzoxazol-3-amine
CID 153376407
5-bromo-N-cyclopropylquinazolin-2-amine
CID 165498561
3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
CID 178166981
N-(3,3-dimethylcyclohexyl)-1,2-benzoxazol-3-amine
CID 114265543
N-cyclopropyl-6-methyl-7-[1-(propan-2-ylamino)phthalazin-6-yl]-1,2-benzoxazol-3-amine
CID 44568820

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine?
The IUPAC name of 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine (CID 84707795) is 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine is Brc1cccc2c(NC3CC3)noc12.
What is the InChIKey of 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine?
The InChIKey is QIIFUUFMFGTIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-8-3-1-2-7-9(8)14-13-10(7)12-6-4-5-6/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine?
7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine has a molecular weight of 253.10 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 84707795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).