5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide

C15H21N5O3 — CID 86789096

IUPAC5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2(c3ncon3)CCOCC2)n[nH]1
InChIInChI=1S/C15H21N5O3/c1-14(2,3)11-8-10(18-19-11)12(21)17-15(4-6-22-7-5-15)13-16-9-23-20-13/h8-9H,4-7H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyKCAYRDZQCJZQIX-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.53
Rot. Bonds3

About 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 86789096) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID86789096
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2(c3ncon3)CCOCC2)n[nH]1
InChIInChI=1S/C15H21N5O3/c1-14(2,3)11-8-10(18-19-11)12(21)17-15(4-6-22-7-5-15)13-16-9-23-20-13/h8-9H,4-7H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyKCAYRDZQCJZQIX-UHFFFAOYSA-N
XLogP1.53
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide (CID 86789096) is 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NC2(c3ncon3)CCOCC2)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is KCAYRDZQCJZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-14(2,3)11-8-10(18-19-11)12(21)17-15(4-6-22-7-5-15)13-16-9-23-20-13/h8-9H,4-7H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86789096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).