7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine

C11H13BrN2O — CID 82233441

IUPAC7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(C(C)C)cc(Br)c2o1
InChIInChI=1S/C11H13BrN2O/c1-6(2)7-4-8(12)10-9(5-7)14-11(13-3)15-10/h4-6H,1-3H3,(H,13,14)
InChIKeyVFZBSWKVGZBQJS-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.76
Rot. Bonds2

About 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine

7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 82233441) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID82233441
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(C(C)C)cc(Br)c2o1
InChIInChI=1S/C11H13BrN2O/c1-6(2)7-4-8(12)10-9(5-7)14-11(13-3)15-10/h4-6H,1-3H3,(H,13,14)
InChIKeyVFZBSWKVGZBQJS-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine (CID 82233441) is 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine is CNc1nc2cc(C(C)C)cc(Br)c2o1.
What is the InChIKey of 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is VFZBSWKVGZBQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-6(2)7-4-8(12)10-9(5-7)14-11(13-3)15-10/h4-6H,1-3H3,(H,13,14).
What are the key properties of 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine?
7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 269.14 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 82233441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).