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

C18H19N3O4 — CID 3160372

IUPACN-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1cccc(-c2noc(CCCC(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C18H19N3O4/c1-23-14-6-2-5-13(11-14)18-20-17(25-21-18)9-3-8-16(22)19-12-15-7-4-10-24-15/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,19,22)
InChIKeyVNWUTNOMXBJYRJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.98
Rot. Bonds8

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

N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 3160372) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID3160372
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1cccc(-c2noc(CCCC(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C18H19N3O4/c1-23-14-6-2-5-13(11-14)18-20-17(25-21-18)9-3-8-16(22)19-12-15-7-4-10-24-15/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,19,22)
InChIKeyVNWUTNOMXBJYRJ-UHFFFAOYSA-N
XLogP2.98
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 3160372) is N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is COc1cccc(-c2noc(CCCC(=O)NCc3ccco3)n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is VNWUTNOMXBJYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-14-6-2-5-13(11-14)18-20-17(25-21-18)9-3-8-16(22)19-12-15-7-4-10-24-15/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 341.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 3160372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).