5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine

C15H20N4O — CID 106960357

IUPAC5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(CNC2CC2)o1)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-13(11-6-4-3-5-7-11)17-15-19-18-14(20-15)10-16-12-8-9-12/h3-7,12-13,16H,2,8-10H2,1H3,(H,17,19)
InChIKeyXHZIFTHDXSZNMX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.88
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960357) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960357
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(CNC2CC2)o1)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-13(11-6-4-3-5-7-11)17-15-19-18-14(20-15)10-16-12-8-9-12/h3-7,12-13,16H,2,8-10H2,1H3,(H,17,19)
InChIKeyXHZIFTHDXSZNMX-UHFFFAOYSA-N
XLogP2.88
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine (CID 106960357) is 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine is CCC(Nc1nnc(CNC2CC2)o1)c1ccccc1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XHZIFTHDXSZNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-13(11-6-4-3-5-7-11)17-15-19-18-14(20-15)10-16-12-8-9-12/h3-7,12-13,16H,2,8-10H2,1H3,(H,17,19).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(1-phenylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).