2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine

C11H14ClN3O — CID 83843035

IUPAC2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1nc2cccc(Cl)c2o1
InChIInChI=1S/C11H14ClN3O/c1-7(6-13)15(2)11-14-9-5-3-4-8(12)10(9)16-11/h3-5,7H,6,13H2,1-2H3
InChIKeyMNJGDJCSEGLBAS-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.26
Rot. Bonds3

About 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine

2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 83843035) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine
PubChem CID83843035
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1nc2cccc(Cl)c2o1
InChIInChI=1S/C11H14ClN3O/c1-7(6-13)15(2)11-14-9-5-3-4-8(12)10(9)16-11/h3-5,7H,6,13H2,1-2H3
InChIKeyMNJGDJCSEGLBAS-UHFFFAOYSA-N
XLogP2.26
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
CID 83833362
2-(7-chloro-1,3-benzoxazol-2-yl)-4-methylpentan-1-amine
CID 81433740
7-chloro-2-ethyl-1,3-benzoxazole;ethane
CID 145422822
(7-chloro-1,3-benzoxazol-2-yl)methanol
CID 130132807
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
2-N-(2,1-benzothiazol-3-yl)-2-N-methylpropane-1,2-diamine
CID 104556666
2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 81433835
2-tert-butyl-7-chloro-1,3-benzoxazole
CID 119084711
N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
CID 83834384
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81433640

Frequently Asked Questions

What is the IUPAC name of 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine (CID 83843035) is 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1nc2cccc(Cl)c2o1.
What is the InChIKey of 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is MNJGDJCSEGLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7(6-13)15(2)11-14-9-5-3-4-8(12)10(9)16-11/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine?
2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 239.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 83843035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).