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

C11H17N5O — CID 55180381

IUPACN-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNCCCc1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C11H17N5O/c1-2-6-12-7-3-4-10-15-16-11(17-10)9-5-8-13-14-9/h5,8,12H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyAFISTHRCJBNZHE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.39
Rot. Bonds7

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

N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 55180381) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID55180381
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNCCCc1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C11H17N5O/c1-2-6-12-7-3-4-10-15-16-11(17-10)9-5-8-13-14-9/h5,8,12H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyAFISTHRCJBNZHE-UHFFFAOYSA-N
XLogP1.39
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.39
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-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 55180381) is N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCCNCCCc1nnc(-c2ccn[nH]2)o1.
What is the InChIKey of N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is AFISTHRCJBNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-6-12-7-3-4-10-15-16-11(17-10)9-5-8-13-14-9/h5,8,12H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 55180381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).