N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine

C10H12FN3O — CID 83834384

IUPACN'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc2cccc(F)c2o1
InChIInChI=1S/C10H12FN3O/c1-14(6-5-12)10-13-8-4-2-3-7(11)9(8)15-10/h2-4H,5-6,12H2,1H3
InChIKeyQLANTMNYVGATDG-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.36
Rot. Bonds3

About N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine

N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 83834384) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
PubChem CID83834384
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC NameN'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc2cccc(F)c2o1
InChIInChI=1S/C10H12FN3O/c1-14(6-5-12)10-13-8-4-2-3-7(11)9(8)15-10/h2-4H,5-6,12H2,1H3
InChIKeyQLANTMNYVGATDG-UHFFFAOYSA-N
XLogP1.36
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine
CID 83832889
N'-(5-chloro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine
CID 83839740
N'-(8-fluoroquinolin-2-yl)-N'-methylethane-1,2-diamine
CID 83837097
N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine
CID 83830097
7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 82231372
2-N-(7-chloro-1,3-benzoxazol-2-yl)-2-N-methylpropane-1,2-diamine
CID 83843035
2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine
CID 156898749
2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
CID 83859229
(7-fluoro-1,3-benzoxazol-2-yl)methyl methanesulfonate
CID 130132806
2-chloro-1-(7-fluoro-1,3-benzoxazol-2-yl)ethanone
CID 130132800
2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
CID 118803478
3-[amino-(7-methyl-1,3-benzoxazol-2-yl)amino]propanenitrile
CID 13373824

Frequently Asked Questions

What is the IUPAC name of N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine (CID 83834384) is N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1nc2cccc(F)c2o1.
What is the InChIKey of N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is QLANTMNYVGATDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-14(6-5-12)10-13-8-4-2-3-7(11)9(8)15-10/h2-4H,5-6,12H2,1H3.
What are the key properties of N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine?
N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 209.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-fluoro-1,3-benzoxazol-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83834384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).