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

C16H15N3O4 — CID 6462372

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(-c2noc(CN(C)C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C16H15N3O4/c1-19(16(20)13-4-3-9-22-13)10-14-17-15(18-23-14)11-5-7-12(21-2)8-6-11/h3-9H,10H2,1-2H3
InChIKeyAOUOLYGWJLACAG-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.61
Rot. Bonds5

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

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 6462372) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID6462372
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(-c2noc(CN(C)C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C16H15N3O4/c1-19(16(20)13-4-3-9-22-13)10-14-17-15(18-23-14)11-5-7-12(21-2)8-6-11/h3-9H,10H2,1-2H3
InChIKeyAOUOLYGWJLACAG-UHFFFAOYSA-N
XLogP2.61
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide (CID 6462372) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide is COc1ccc(-c2noc(CN(C)C(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is AOUOLYGWJLACAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-19(16(20)13-4-3-9-22-13)10-14-17-15(18-23-14)11-5-7-12(21-2)8-6-11/h3-9H,10H2,1-2H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 6462372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).