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

C18H17N3O3 — CID 4258374

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-12(2)23-15-10-8-13(9-11-15)16(22)19-18-21-20-17(24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21,22)
InChIKeyVAUOPQIEODPVCY-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.78
Rot. Bonds5

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

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 4258374) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide
PubChem CID4258374
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O3/c1-12(2)23-15-10-8-13(9-11-15)16(22)19-18-21-20-17(24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21,22)
InChIKeyVAUOPQIEODPVCY-UHFFFAOYSA-N
XLogP3.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide (CID 4258374) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is VAUOPQIEODPVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(2)23-15-10-8-13(9-11-15)16(22)19-18-21-20-17(24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21,22).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 323.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 4258374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).