5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide

C20H20N6O3 — CID 91917680

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCc3noc(-c4cccnc4)n3)o2)n1
InChIInChI=1S/C20H20N6O3/c1-13-10-14(2)26(24-13)12-16-5-6-17(28-16)19(27)22-9-7-18-23-20(29-25-18)15-4-3-8-21-11-15/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,22,27)
InChIKeyYIPIASNTMLAIHL-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.56
Rot. Bonds7

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 91917680) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
PubChem CID91917680
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCc3noc(-c4cccnc4)n3)o2)n1
InChIInChI=1S/C20H20N6O3/c1-13-10-14(2)26(24-13)12-16-5-6-17(28-16)19(27)22-9-7-18-23-20(29-25-18)15-4-3-8-21-11-15/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,22,27)
InChIKeyYIPIASNTMLAIHL-UHFFFAOYSA-N
XLogP2.56
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide (CID 91917680) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)NCCc3noc(-c4cccnc4)n3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is YIPIASNTMLAIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-13-10-14(2)26(24-13)12-16-5-6-17(28-16)19(27)22-9-7-18-23-20(29-25-18)15-4-3-8-21-11-15/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,22,27).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 91917680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).