2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C18H17N3O2 — CID 880165

IUPAC2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)16(22)19-15-10-8-14(9-11-15)18-21-20-17(23-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,22)
InChIKeyZZWYYGRPMKRHSX-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.00
Rot. Bonds4

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

2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 880165) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID880165
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)16(22)19-15-10-8-14(9-11-15)18-21-20-17(23-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,22)
InChIKeyZZWYYGRPMKRHSX-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 880165) is 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is ZZWYYGRPMKRHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)16(22)19-15-10-8-14(9-11-15)18-21-20-17(23-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 307.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 880165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).