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

C18H19N3O3 — CID 3160325

IUPACN-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C18H19N3O3/c1-13-5-2-6-14(11-13)18-20-17(24-21-18)9-3-8-16(22)19-12-15-7-4-10-23-15/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,19,22)
InChIKeyXEFFXQQOARYKPB-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.28
Rot. Bonds7

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

N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 3160325) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID3160325
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C18H19N3O3/c1-13-5-2-6-14(11-13)18-20-17(24-21-18)9-3-8-16(22)19-12-15-7-4-10-23-15/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,19,22)
InChIKeyXEFFXQQOARYKPB-UHFFFAOYSA-N
XLogP3.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 3160325) is N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1cccc(-c2noc(CCCC(=O)NCc3ccco3)n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is XEFFXQQOARYKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-5-2-6-14(11-13)18-20-17(24-21-18)9-3-8-16(22)19-12-15-7-4-10-23-15/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-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 325.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 3160325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).