5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine

C6H10F2N4O — CID 127011526

IUPAC5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CN)o1)C(F)F
InChIInChI=1S/C6H10F2N4O/c1-3(5(7)8)10-6-12-11-4(2-9)13-6/h3,5H,2,9H2,1H3,(H,10,12)
InChIKeyUVYVWJNRDHHHPK-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.59
Rot. Bonds4

About 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 127011526) has the molecular formula C6H10F2N4O and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID127011526
Molecular FormulaC6H10F2N4O
Molecular Weight192.17 g/mol
Exact Mass192.08
IUPAC Name5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CN)o1)C(F)F
InChIInChI=1S/C6H10F2N4O/c1-3(5(7)8)10-6-12-11-4(2-9)13-6/h3,5H,2,9H2,1H3,(H,10,12)
InChIKeyUVYVWJNRDHHHPK-UHFFFAOYSA-N
XLogP0.59
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966295
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106970670
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969017
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959621
5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine
CID 106966021
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106961329
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
5-(2-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965502
5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970644
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964958
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 127011526) is 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(CN)o1)C(F)F.
What is the InChIKey of 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UVYVWJNRDHHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4O/c1-3(5(7)8)10-6-12-11-4(2-9)13-6/h3,5H,2,9H2,1H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 192.17 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 127011526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).