6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane

C12H15BrN2O — CID 90883521

IUPAC6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane
SMILESBrc1ccc2c(NC3CC3)noc2c1.CC
InChIInChI=1S/C10H9BrN2O.C2H6/c11-6-1-4-8-9(5-6)14-13-10(8)12-7-2-3-7;1-2/h1,4-5,7H,2-3H2,(H,12,13);1-2H3
InChIKeyXVBUPFXWPSOIKB-UHFFFAOYSA-N
MW283.17 g/mol
LogP4.19
Rot. Bonds2

About 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane

6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane (PubChem CID 90883521) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane.

Molecular Properties

Compound Name6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane
PubChem CID90883521
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane
SMILESBrc1ccc2c(NC3CC3)noc2c1.CC
InChIInChI=1S/C10H9BrN2O.C2H6/c11-6-1-4-8-9(5-6)14-13-10(8)12-7-2-3-7;1-2/h1,4-5,7H,2-3H2,(H,12,13);1-2H3
InChIKeyXVBUPFXWPSOIKB-UHFFFAOYSA-N
XLogP4.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane?
The IUPAC name of 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane (CID 90883521) is 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane.
What is the SMILES notation for 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane?
The canonical SMILES for 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane is Brc1ccc2c(NC3CC3)noc2c1.CC.
What is the InChIKey of 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane?
The InChIKey is XVBUPFXWPSOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O.C2H6/c11-6-1-4-8-9(5-6)14-13-10(8)12-7-2-3-7;1-2/h1,4-5,7H,2-3H2,(H,12,13);1-2H3.
What are the key properties of 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane?
6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane has a molecular weight of 283.17 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine;ethane is sourced from PubChem (CID 90883521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).