N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C18H16N6O4 — CID 91819297

IUPACN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3cc(-c4ccco4)[nH]n3)n2)cn1
InChIInChI=1S/C18H16N6O4/c1-2-26-15-6-5-11(9-19-15)17-21-16(28-24-17)10-20-18(25)13-8-12(22-23-13)14-4-3-7-27-14/h3-9H,2,10H2,1H3,(H,20,25)(H,22,23)
InChIKeyOLGXKINCYQWVBG-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.44
Rot. Bonds7

About N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 91819297) has the molecular formula C18H16N6O4 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID91819297
Molecular FormulaC18H16N6O4
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3cc(-c4ccco4)[nH]n3)n2)cn1
InChIInChI=1S/C18H16N6O4/c1-2-26-15-6-5-11(9-19-15)17-21-16(28-24-17)10-20-18(25)13-8-12(22-23-13)14-4-3-7-27-14/h3-9H,2,10H2,1H3,(H,20,25)(H,22,23)
InChIKeyOLGXKINCYQWVBG-UHFFFAOYSA-N
XLogP2.44
TPSA131.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 91819297) is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CCOc1ccc(-c2noc(CNC(=O)c3cc(-c4ccco4)[nH]n3)n2)cn1.
What is the InChIKey of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is OLGXKINCYQWVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4/c1-2-26-15-6-5-11(9-19-15)17-21-16(28-24-17)10-20-18(25)13-8-12(22-23-13)14-4-3-7-27-14/h3-9H,2,10H2,1H3,(H,20,25)(H,22,23).
What are the key properties of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91819297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).