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

C15H13N3O4 — CID 2989051

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C15H13N3O4/c1-20-11-6-4-10(5-7-11)14-17-13(22-18-14)9-16-15(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyLFXHKBFJYBKCRG-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.27
Rot. Bonds5

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

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 2989051) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID2989051
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C15H13N3O4/c1-20-11-6-4-10(5-7-11)14-17-13(22-18-14)9-16-15(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyLFXHKBFJYBKCRG-UHFFFAOYSA-N
XLogP2.27
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
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]furan-2-carboxamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 2989051) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is COc1ccc(-c2noc(CNC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is LFXHKBFJYBKCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-20-11-6-4-10(5-7-11)14-17-13(22-18-14)9-16-15(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 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]furan-2-carboxamide is sourced from PubChem (CID 2989051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).