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

C10H10F2N4O — CID 106969727

IUPAC5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2cccc(F)c2F)o1
InChIInChI=1S/C10H10F2N4O/c11-6-2-1-3-7(9(6)12)14-10-16-15-8(17-10)4-5-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyMASKLVZEXAROIR-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.59
Rot. Bonds4

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

5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969727) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969727
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2cccc(F)c2F)o1
InChIInChI=1S/C10H10F2N4O/c11-6-2-1-3-7(9(6)12)14-10-16-15-8(17-10)4-5-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyMASKLVZEXAROIR-UHFFFAOYSA-N
XLogP1.59
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,3-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436713
N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969724
5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390
5-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962819
5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967359
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
5-(1-chloroethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956850
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
5-(2-aminoethyl)-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965275
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969735
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
4-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966691

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine (CID 106969727) is 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(Nc2cccc(F)c2F)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MASKLVZEXAROIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-6-2-1-3-7(9(6)12)14-10-16-15-8(17-10)4-5-13/h1-3H,4-5,13H2,(H,14,16).
What are the key properties of 5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.21 g/mol, XLogP of 1.59, 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-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).