N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide

C18H23N3O4 — CID 12797430

IUPACN-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(OCC2CO2)c(-c2nnco2)c1
InChIInChI=1S/C18H23N3O4/c1-2-3-4-5-6-17(22)20-13-7-8-16(24-11-14-10-23-14)15(9-13)18-21-19-12-25-18/h7-9,12,14H,2-6,10-11H2,1H3,(H,20,22)
InChIKeyRAMRAGXREAESLS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.42
Rot. Bonds10

About N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide

N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide (PubChem CID 12797430) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide.

Molecular Properties

Compound NameN-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide
PubChem CID12797430
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(OCC2CO2)c(-c2nnco2)c1
InChIInChI=1S/C18H23N3O4/c1-2-3-4-5-6-17(22)20-13-7-8-16(24-11-14-10-23-14)15(9-13)18-21-19-12-25-18/h7-9,12,14H,2-6,10-11H2,1H3,(H,20,22)
InChIKeyRAMRAGXREAESLS-UHFFFAOYSA-N
XLogP3.42
TPSA89.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide?
The IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide (CID 12797430) is N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide.
What is the SMILES notation for N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide?
The canonical SMILES for N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(OCC2CO2)c(-c2nnco2)c1.
What is the InChIKey of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide?
The InChIKey is RAMRAGXREAESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-3-4-5-6-17(22)20-13-7-8-16(24-11-14-10-23-14)15(9-13)18-21-19-12-25-18/h7-9,12,14H,2-6,10-11H2,1H3,(H,20,22).
What are the key properties of N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide?
N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide has a molecular weight of 345.40 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide is sourced from PubChem (CID 12797430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).