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

C16H14N6O3 — CID 91632216

IUPAC5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCn1cccc1-c1noc(CNC(=O)c2cc(-c3ccco3)[nH]n2)n1
InChIInChI=1S/C16H14N6O3/c1-22-6-2-4-12(22)15-18-14(25-21-15)9-17-16(23)11-8-10(19-20-11)13-5-3-7-24-13/h2-8H,9H2,1H3,(H,17,23)(H,19,20)
InChIKeyVUTJOYIZNBIBRG-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.99
Rot. Bonds5

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

5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 91632216) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID91632216
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCn1cccc1-c1noc(CNC(=O)c2cc(-c3ccco3)[nH]n2)n1
InChIInChI=1S/C16H14N6O3/c1-22-6-2-4-12(22)15-18-14(25-21-15)9-17-16(23)11-8-10(19-20-11)13-5-3-7-24-13/h2-8H,9H2,1H3,(H,17,23)(H,19,20)
InChIKeyVUTJOYIZNBIBRG-UHFFFAOYSA-N
XLogP1.99
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide (CID 91632216) is 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide is Cn1cccc1-c1noc(CNC(=O)c2cc(-c3ccco3)[nH]n2)n1.
What is the InChIKey of 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VUTJOYIZNBIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c1-22-6-2-4-12(22)15-18-14(25-21-15)9-17-16(23)11-8-10(19-20-11)13-5-3-7-24-13/h2-8H,9H2,1H3,(H,17,23)(H,19,20).
What are the key properties of 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91632216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).