N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

C15H22N4O — CID 106960985

IUPACN-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC(C)Cc2ccccc2)o1
InChIInChI=1S/C15H22N4O/c1-3-9-16-11-14-18-19-15(20-14)17-12(2)10-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)
InChIKeyCEQWVKSBOVLUHC-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.61
Rot. Bonds8

About N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960985) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960985
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC(C)Cc2ccccc2)o1
InChIInChI=1S/C15H22N4O/c1-3-9-16-11-14-18-19-15(20-14)17-12(2)10-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19)
InChIKeyCEQWVKSBOVLUHC-UHFFFAOYSA-N
XLogP2.61
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106960985) is N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NC(C)Cc2ccccc2)o1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CEQWVKSBOVLUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-9-16-11-14-18-19-15(20-14)17-12(2)10-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).