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

C16H14N6OS — CID 75478262

IUPACN-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCn1cc(CNc2nnc(-c3ccncc3)o2)c(-c2cccs2)n1
InChIInChI=1S/C16H14N6OS/c1-22-10-12(14(21-22)13-3-2-8-24-13)9-18-16-20-19-15(23-16)11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyITNBNORFILXOIH-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.21
Rot. Bonds5

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

N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75478262) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID75478262
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCn1cc(CNc2nnc(-c3ccncc3)o2)c(-c2cccs2)n1
InChIInChI=1S/C16H14N6OS/c1-22-10-12(14(21-22)13-3-2-8-24-13)9-18-16-20-19-15(23-16)11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyITNBNORFILXOIH-UHFFFAOYSA-N
XLogP3.21
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

US10577360, Example 113
CID 138585055
US10577360, Example 86
CID 138585195
N-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)picolinamide
CID 49736509
US10577360, Example 45
CID 132035890
N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1H-indole-3-carboxamide
CID 71781002
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 86815203
5-[2-[(2-fluoro-4-pyridinyl)methyl]thiophen-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 66999764
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 75507705
5-[2-(pyridin-4-ylmethylsulfanyl)thiophen-3-yl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 102033311
N-[[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 132364931
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 167955720
N-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 6852040

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 75478262) is N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is Cn1cc(CNc2nnc(-c3ccncc3)o2)c(-c2cccs2)n1.
What is the InChIKey of N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is ITNBNORFILXOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-22-10-12(14(21-22)13-3-2-8-24-13)9-18-16-20-19-15(23-16)11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,18,20).
What are the key properties of N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 338.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75478262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).