5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine

C11H12F2N4O — CID 106967359

IUPAC5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(F)c(Nc2nnc(CCN)o2)cc1F
InChIInChI=1S/C11H12F2N4O/c1-6-4-8(13)9(5-7(6)12)15-11-17-16-10(18-11)2-3-14/h4-5H,2-3,14H2,1H3,(H,15,17)
InChIKeyAGBGINHXIULETR-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.90
Rot. Bonds4

About 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967359) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967359
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(F)c(Nc2nnc(CCN)o2)cc1F
InChIInChI=1S/C11H12F2N4O/c1-6-4-8(13)9(5-7(6)12)15-11-17-16-10(18-11)2-3-14/h4-5H,2-3,14H2,1H3,(H,15,17)
InChIKeyAGBGINHXIULETR-UHFFFAOYSA-N
XLogP1.90
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106967359) is 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cc(F)c(Nc2nnc(CCN)o2)cc1F.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AGBGINHXIULETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-6-4-8(13)9(5-7(6)12)15-11-17-16-10(18-11)2-3-14/h4-5H,2-3,14H2,1H3,(H,15,17).
What are the key properties of 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 254.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).