N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine

C9H10FN3O — CID 84665921

IUPACN'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine
SMILESNCCNc1noc2cc(F)ccc12
InChIInChI=1S/C9H10FN3O/c10-6-1-2-7-8(5-6)14-13-9(7)12-4-3-11/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyKTVMDTDUEOEIIU-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.34
Rot. Bonds3

About N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine

N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine (PubChem CID 84665921) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine
PubChem CID84665921
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC NameN'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine
SMILESNCCNc1noc2cc(F)ccc12
InChIInChI=1S/C9H10FN3O/c10-6-1-2-7-8(5-6)14-13-9(7)12-4-3-11/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyKTVMDTDUEOEIIU-UHFFFAOYSA-N
XLogP1.34
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-fluoro-1,2-benzoxazol-3-yl)propane-1,3-diamine
CID 83834388
(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 126797029
6-fluoro-N-[(3-nitrophenyl)methyl]-1,2-benzoxazol-3-amine
CID 67526985
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
CID 130221894
6-chloro-N-(3-pyridin-4-ylpropyl)-1,2-benzoxazol-3-amine
CID 152669842
6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969997
6-fluoro-1,2-benzoxazole-3-carbaldehyde
CID 89169705
1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine
CID 83832898
N'-[4-(4-fluorophenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191458
6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole
CID 158387133
methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
CID 22402925

Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine (CID 84665921) is N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine is NCCNc1noc2cc(F)ccc12.
What is the InChIKey of N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
The InChIKey is KTVMDTDUEOEIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c10-6-1-2-7-8(5-6)14-13-9(7)12-4-3-11/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine?
N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine has a molecular weight of 195.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 84665921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).