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3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H16ClN5O3 — CID 20931843

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)no2)o1
InChIInChI=1S/C19H16ClN5O3/c1-11-3-8-15(27-11)9-21-18(26)19-22-17(24-28-19)16-10-25(23-12(16)2)14-6-4-13(20)5-7-14/h3-8,10H,9H2,1-2H3,(H,21,26)
InChIKeyGTBXLAYPPQMPNI-UHFFFAOYSA-N
MW397.82 g/mol
LogP3.72
Rot. Bonds5

About 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931843) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID20931843
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC Name3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)no2)o1
InChIInChI=1S/C19H16ClN5O3/c1-11-3-8-15(27-11)9-21-18(26)19-22-17(24-28-19)16-10-25(23-12(16)2)14-6-4-13(20)5-7-14/h3-8,10H,9H2,1-2H3,(H,21,26)
InChIKeyGTBXLAYPPQMPNI-UHFFFAOYSA-N
XLogP3.72
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 20931843) is 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)no2)o1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GTBXLAYPPQMPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-11-3-8-15(27-11)9-21-18(26)19-22-17(24-28-19)16-10-25(23-12(16)2)14-6-4-13(20)5-7-14/h3-8,10H,9H2,1-2H3,(H,21,26).
What are the key properties of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 397.82 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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