5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine

C16H19N5O2 — CID 133482477

IUPAC5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
SMILESCC(C)c1noc(CCCNc2noc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H19N5O2/c1-11(2)14-18-13(22-20-14)9-6-10-17-16-19-15(23-21-16)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,17,21)
InChIKeyGMQYLGNJDXCNNH-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.29
Rot. Bonds7

About 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine

5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine (PubChem CID 133482477) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
PubChem CID133482477
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
SMILESCC(C)c1noc(CCCNc2noc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H19N5O2/c1-11(2)14-18-13(22-20-14)9-6-10-17-16-19-15(23-21-16)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,17,21)
InChIKeyGMQYLGNJDXCNNH-UHFFFAOYSA-N
XLogP3.29
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133305648
2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133405040
2-methyl-1-(3-phenylpropyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111198454
2-methyl-1-(4-phenylbutan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111172186
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
2-methyl-1-(2-phenylsulfanylethyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111372550
4-methyl-5-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133483445
4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133482561
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
1-ethyl-2-[(2-ethylphenyl)methyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111635445

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine (CID 133482477) is 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine is CC(C)c1noc(CCCNc2noc(-c3ccccc3)n2)n1.
What is the InChIKey of 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is GMQYLGNJDXCNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11(2)14-18-13(22-20-14)9-6-10-17-16-19-15(23-21-16)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,17,21).
What are the key properties of 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine?
5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 313.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133482477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).