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

C13H21N5O — CID 86782908

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cn[nH]c2C(C)(C)C)o1
InChIInChI=1S/C13H21N5O/c1-5-6-10-16-18-12(19-10)14-7-9-8-15-17-11(9)13(2,3)4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyKBVMGTCNTNXCRY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.65
Rot. Bonds5

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

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 86782908) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID86782908
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cn[nH]c2C(C)(C)C)o1
InChIInChI=1S/C13H21N5O/c1-5-6-10-16-18-12(19-10)14-7-9-8-15-17-11(9)13(2,3)4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyKBVMGTCNTNXCRY-UHFFFAOYSA-N
XLogP2.65
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 86782908) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2cn[nH]c2C(C)(C)C)o1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is KBVMGTCNTNXCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-6-10-16-18-12(19-10)14-7-9-8-15-17-11(9)13(2,3)4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).