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

C15H21N5O3 — CID 128987859

IUPAC5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC(c2nc(C)no2)C2CCOCC2)n[nH]1
InChIInChI=1S/C15H21N5O3/c1-3-11-8-12(19-18-11)14(21)17-13(10-4-6-22-7-5-10)15-16-9(2)20-23-15/h8,10,13H,3-7H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyYYCJTRAZXBTQET-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.56
Rot. Bonds5

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

5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 128987859) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID128987859
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC(c2nc(C)no2)C2CCOCC2)n[nH]1
InChIInChI=1S/C15H21N5O3/c1-3-11-8-12(19-18-11)14(21)17-13(10-4-6-22-7-5-10)15-16-9(2)20-23-15/h8,10,13H,3-7H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyYYCJTRAZXBTQET-UHFFFAOYSA-N
XLogP1.56
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 128987859) is 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NC(c2nc(C)no2)C2CCOCC2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YYCJTRAZXBTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-3-11-8-12(19-18-11)14(21)17-13(10-4-6-22-7-5-10)15-16-9(2)20-23-15/h8,10,13H,3-7H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 128987859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).