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

C16H13N3O2 — CID 784910

IUPAC2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14(11-12-7-3-1-4-8-12)17-16-15(18-21-19-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19,20)
InChIKeyMHHCRHUTRXPDNL-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.92
Rot. Bonds4

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

2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 784910) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID784910
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14(11-12-7-3-1-4-8-12)17-16-15(18-21-19-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19,20)
InChIKeyMHHCRHUTRXPDNL-UHFFFAOYSA-N
XLogP2.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide (CID 784910) is 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide is O=C(Cc1ccccc1)Nc1nonc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is MHHCRHUTRXPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14(11-12-7-3-1-4-8-12)17-16-15(18-21-19-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19,20).
What are the key properties of 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide?
2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 784910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).