5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide

C17H25N5O3 — CID 86815442

IUPAC5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)NC1(c2ncon2)CCOCC1
InChIInChI=1S/C17H25N5O3/c1-4-13(5-2)22-14(10-12(3)20-22)15(23)19-17(6-8-24-9-7-17)16-18-11-25-21-16/h10-11,13H,4-9H2,1-3H3,(H,19,23)
InChIKeyJWHWNYMSOSPLIJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.37
Rot. Bonds6

About 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide

5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 86815442) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide
PubChem CID86815442
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)NC1(c2ncon2)CCOCC1
InChIInChI=1S/C17H25N5O3/c1-4-13(5-2)22-14(10-12(3)20-22)15(23)19-17(6-8-24-9-7-17)16-18-11-25-21-16/h10-11,13H,4-9H2,1-3H3,(H,19,23)
InChIKeyJWHWNYMSOSPLIJ-UHFFFAOYSA-N
XLogP2.37
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide (CID 86815442) is 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)n1nc(C)cc1C(=O)NC1(c2ncon2)CCOCC1.
What is the InChIKey of 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is JWHWNYMSOSPLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-4-13(5-2)22-14(10-12(3)20-22)15(23)19-17(6-8-24-9-7-17)16-18-11-25-21-16/h10-11,13H,4-9H2,1-3H3,(H,19,23).
What are the key properties of 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-2-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 86815442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).