1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine

C12H15BrN2O — CID 82233706

IUPAC1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(C(C)C)cc(Br)c2o1
InChIInChI=1S/C12H15BrN2O/c1-7(2)8-4-9(13)12-10(5-8)15-11(16-12)6-14-3/h4-5,7,14H,6H2,1-3H3
InChIKeyXZQXAFQXZBWHAQ-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.43
Rot. Bonds3

About 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine

1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine (PubChem CID 82233706) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
PubChem CID82233706
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(C(C)C)cc(Br)c2o1
InChIInChI=1S/C12H15BrN2O/c1-7(2)8-4-9(13)12-10(5-8)15-11(16-12)6-14-3/h4-5,7,14H,6H2,1-3H3
InChIKeyXZQXAFQXZBWHAQ-UHFFFAOYSA-N
XLogP3.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 82233441
7-bromo-2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1,3-benzoxazole
CID 95910570
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230268
N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230283
7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole
CID 82095609
7-bromo-N-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-amine
CID 82233713
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232637
7-bromo-5-tert-butyl-2-propyl-1,3-benzoxazole
CID 82233973
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 82230581
N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine (CID 82233706) is 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine is CNCc1nc2cc(C(C)C)cc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The InChIKey is XZQXAFQXZBWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7(2)8-4-9(13)12-10(5-8)15-11(16-12)6-14-3/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine has a molecular weight of 283.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 82233706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).