5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine

C10H11FN4O — CID 106967234

IUPAC5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(CN)o2)c(F)c1
InChIInChI=1S/C10H11FN4O/c1-6-2-3-8(7(11)4-6)13-10-15-14-9(5-12)16-10/h2-4H,5,12H2,1H3,(H,13,15)
InChIKeyOKCJRARCTKYAQP-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.72
Rot. Bonds3

About 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967234) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967234
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(CN)o2)c(F)c1
InChIInChI=1S/C10H11FN4O/c1-6-2-3-8(7(11)4-6)13-10-15-14-9(5-12)16-10/h2-4H,5,12H2,1H3,(H,13,15)
InChIKeyOKCJRARCTKYAQP-UHFFFAOYSA-N
XLogP1.72
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106967234) is 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2nnc(CN)o2)c(F)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OKCJRARCTKYAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-6-2-3-8(7(11)4-6)13-10-15-14-9(5-12)16-10/h2-4H,5,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 222.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).