2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

C26H19N3O2 — CID 2231210

IUPAC2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C26H19N3O2/c30-24(17-20-12-6-11-18-8-4-5-15-23(18)20)27-22-14-7-13-21(16-22)26-29-28-25(31-26)19-9-2-1-3-10-19/h1-16H,17H2,(H,27,30)
InChIKeyMDCQQAXMGKECEG-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.74
Rot. Bonds5

About 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 2231210) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID2231210
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C26H19N3O2/c30-24(17-20-12-6-11-18-8-4-5-15-23(18)20)27-22-14-7-13-21(16-22)26-29-28-25(31-26)19-9-2-1-3-10-19/h1-16H,17H2,(H,27,30)
InChIKeyMDCQQAXMGKECEG-UHFFFAOYSA-N
XLogP5.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 2231210) is 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is O=C(Cc1cccc2ccccc12)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is MDCQQAXMGKECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-24(17-20-12-6-11-18-8-4-5-15-23(18)20)27-22-14-7-13-21(16-22)26-29-28-25(31-26)19-9-2-1-3-10-19/h1-16H,17H2,(H,27,30).
What are the key properties of 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 2231210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).