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

C13H15N5O2S — CID 86790689

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1c(CNc2nnc(-c3cccs3)o2)c(C)nn1C
InChIInChI=1S/C13H15N5O2S/c1-8-9(12(19-3)18(2)17-8)7-14-13-16-15-11(20-13)10-5-4-6-21-10/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeySTWYZDLRIQJHLL-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.46
Rot. Bonds5

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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 86790689) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID86790689
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1c(CNc2nnc(-c3cccs3)o2)c(C)nn1C
InChIInChI=1S/C13H15N5O2S/c1-8-9(12(19-3)18(2)17-8)7-14-13-16-15-11(20-13)10-5-4-6-21-10/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeySTWYZDLRIQJHLL-UHFFFAOYSA-N
XLogP2.46
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-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-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 86790689) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is COc1c(CNc2nnc(-c3cccs3)o2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is STWYZDLRIQJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-9(12(19-3)18(2)17-8)7-14-13-16-15-11(20-13)10-5-4-6-21-10/h4-6H,7H2,1-3H3,(H,14,16).
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 305.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).