4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide

C23H27N3O4 — CID 10158429

IUPAC4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCCCCCCCc1ccc(C(=O)Nc2ccc(-n3nc(OC)oc3=O)cc2)cc1
InChIInChI=1S/C23H27N3O4/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)21(27)24-19-13-15-20(16-14-19)26-23(28)30-22(25-26)29-2/h9-16H,3-8H2,1-2H3,(H,24,27)
InChIKeyFSFMLTOJLQJLRX-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.60
Rot. Bonds10

About 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide

4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 10158429) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID10158429
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCCCCCCCc1ccc(C(=O)Nc2ccc(-n3nc(OC)oc3=O)cc2)cc1
InChIInChI=1S/C23H27N3O4/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)21(27)24-19-13-15-20(16-14-19)26-23(28)30-22(25-26)29-2/h9-16H,3-8H2,1-2H3,(H,24,27)
InChIKeyFSFMLTOJLQJLRX-UHFFFAOYSA-N
XLogP4.60
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide (CID 10158429) is 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide is CCCCCCCc1ccc(C(=O)Nc2ccc(-n3nc(OC)oc3=O)cc2)cc1.
What is the InChIKey of 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is FSFMLTOJLQJLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)21(27)24-19-13-15-20(16-14-19)26-23(28)30-22(25-26)29-2/h9-16H,3-8H2,1-2H3,(H,24,27).
What are the key properties of 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide?
4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 10158429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).