3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

C11H12Cl2N2O — CID 107676406

IUPAC3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C11H12Cl2N2O/c1-6(5-14)2-10-15-9-4-7(12)3-8(13)11(9)16-10/h3-4,6H,2,5,14H2,1H3
InChIKeyUVMCIYUFGZDNKU-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.27
Rot. Bonds3

About 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (PubChem CID 107676406) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
PubChem CID107676406
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C11H12Cl2N2O/c1-6(5-14)2-10-15-9-4-7(12)3-8(13)11(9)16-10/h3-4,6H,2,5,14H2,1H3
InChIKeyUVMCIYUFGZDNKU-UHFFFAOYSA-N
XLogP3.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 107676305
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81434041
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine
CID 107676160
5,7-dichloro-2-(4-chlorobutyl)-1,3-benzoxazole
CID 107676446
3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
CID 82247293
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
CID 82576903
2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81072191
2-[(5,7-dichloro-1,3-benzoxazol-2-yl)-methylamino]propanoic acid
CID 122048793
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 107675982

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (CID 107676406) is 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is CC(CN)Cc1nc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is UVMCIYUFGZDNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-6(5-14)2-10-15-9-4-7(12)3-8(13)11(9)16-10/h3-4,6H,2,5,14H2,1H3.
What are the key properties of 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 259.14 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 107676406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).