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

C18H17N3O2 — CID 20973297

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H17N3O2/c1-2-11-19-17(22)14-9-6-10-15(12-14)18-20-16(21-23-18)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,19,22)
InChIKeyUJTXZGMFPFIZJA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.54
Rot. Bonds5

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide (PubChem CID 20973297) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide
PubChem CID20973297
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H17N3O2/c1-2-11-19-17(22)14-9-6-10-15(12-14)18-20-16(21-23-18)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,19,22)
InChIKeyUJTXZGMFPFIZJA-UHFFFAOYSA-N
XLogP3.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide (CID 20973297) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide is CCCNC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide?
The InChIKey is UJTXZGMFPFIZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-11-19-17(22)14-9-6-10-15(12-14)18-20-16(21-23-18)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,19,22).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylbenzamide is sourced from PubChem (CID 20973297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).