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

C10H12FN3O — CID 83834399

IUPAC2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc2ccc(F)cc2o1
InChIInChI=1S/C10H12FN3O/c1-6(5-12)13-10-14-8-3-2-7(11)4-9(8)15-10/h2-4,6H,5,12H2,1H3,(H,13,14)
InChIKeyVOQQURBCCZFNKS-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.73
Rot. Bonds3

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

2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine (PubChem CID 83834399) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
PubChem CID83834399
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc2ccc(F)cc2o1
InChIInChI=1S/C10H12FN3O/c1-6(5-12)13-10-14-8-3-2-7(11)4-9(8)15-10/h2-4,6H,5,12H2,1H3,(H,13,14)
InChIKeyVOQQURBCCZFNKS-UHFFFAOYSA-N
XLogP1.73
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-propyl-1,3-benzoxazol-2-amine
CID 123750447
2-N-(1-ethoxypropan-2-yl)-1,3-benzoxazole-2,6-diamine
CID 79893287
6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
CID 168891031
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 63676371
2-N-(4-methyl-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83832905
N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine
CID 171996610
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
CID 63675606
2-N-[1-(2-fluorophenyl)ethyl]-1,3-benzoxazole-2,6-diamine
CID 79892759
5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 133314156
N-(3,6-dichloropyridazin-4-yl)-6-fluoro-1,3-benzoxazol-2-amine
CID 166929376
1-N,1-N-dimethyl-2-N-(6-nitro-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 82939171
(2R)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-3-methylbutanoic acid
CID 122050836

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine (CID 83834399) is 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine is CC(CN)Nc1nc2ccc(F)cc2o1.
What is the InChIKey of 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine?
The InChIKey is VOQQURBCCZFNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-6(5-12)13-10-14-8-3-2-7(11)4-9(8)15-10/h2-4,6H,5,12H2,1H3,(H,13,14).
What are the key properties of 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine?
2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine has a molecular weight of 209.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83834399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).