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

C14H23N5O — CID 131917456

IUPAC5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(NCCCn2nc(C)c(C)c2C)no1
InChIInChI=1S/C14H23N5O/c1-5-7-13-16-14(18-20-13)15-8-6-9-19-12(4)10(2)11(3)17-19/h5-9H2,1-4H3,(H,15,18)
InChIKeyHCDSJYROBKNHSM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.65
Rot. Bonds7

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

5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine (PubChem CID 131917456) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine
PubChem CID131917456
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(NCCCn2nc(C)c(C)c2C)no1
InChIInChI=1S/C14H23N5O/c1-5-7-13-16-14(18-20-13)15-8-6-9-19-12(4)10(2)11(3)17-19/h5-9H2,1-4H3,(H,15,18)
InChIKeyHCDSJYROBKNHSM-UHFFFAOYSA-N
XLogP2.65
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine (CID 131917456) is 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine is CCCc1nc(NCCCn2nc(C)c(C)c2C)no1.
What is the InChIKey of 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is HCDSJYROBKNHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-7-13-16-14(18-20-13)15-8-6-9-19-12(4)10(2)11(3)17-19/h5-9H2,1-4H3,(H,15,18).
What are the key properties of 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine?
5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 131917456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).