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

C13H21N5O — CID 75498286

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2c(C)nn(CC)c2C)o1
InChIInChI=1S/C13H21N5O/c1-5-7-12-15-16-13(19-12)14-8-11-9(3)17-18(6-2)10(11)4/h5-8H2,1-4H3,(H,14,16)
InChIKeyHNHKOMIJUZDETB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds6

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 75498286) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID75498286
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2c(C)nn(CC)c2C)o1
InChIInChI=1S/C13H21N5O/c1-5-7-12-15-16-13(19-12)14-8-11-9(3)17-18(6-2)10(11)4/h5-8H2,1-4H3,(H,14,16)
InChIKeyHNHKOMIJUZDETB-UHFFFAOYSA-N
XLogP2.47
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-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-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 75498286) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2c(C)nn(CC)c2C)o1.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is HNHKOMIJUZDETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-7-12-15-16-13(19-12)14-8-11-9(3)17-18(6-2)10(11)4/h5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).