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

C16H15N3O3 — CID 6473228

IUPAC2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide
SMILESCc1ccc(-c2noc(CNC(=O)c3ccoc3C)n2)cc1
InChIInChI=1S/C16H15N3O3/c1-10-3-5-12(6-4-10)15-18-14(22-19-15)9-17-16(20)13-7-8-21-11(13)2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyJWBBHSPXOQHCTR-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.88
Rot. Bonds4

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

2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide (PubChem CID 6473228) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide
PubChem CID6473228
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide
SMILESCc1ccc(-c2noc(CNC(=O)c3ccoc3C)n2)cc1
InChIInChI=1S/C16H15N3O3/c1-10-3-5-12(6-4-10)15-18-14(22-19-15)9-17-16(20)13-7-8-21-11(13)2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyJWBBHSPXOQHCTR-UHFFFAOYSA-N
XLogP2.88
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide (CID 6473228) is 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide is Cc1ccc(-c2noc(CNC(=O)c3ccoc3C)n2)cc1.
What is the InChIKey of 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide?
The InChIKey is JWBBHSPXOQHCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-3-5-12(6-4-10)15-18-14(22-19-15)9-17-16(20)13-7-8-21-11(13)2/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide?
2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 6473228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).