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

C18H20N4O3 — CID 24793099

IUPAC3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCC(C)c3ccccc3)o2)no1
InChIInChI=1S/C18H20N4O3/c1-12(14-6-4-3-5-7-14)11-19-16(23)8-9-17-20-21-18(24-17)15-10-13(2)25-22-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,23)
InChIKeyNMYCWUVJEMEZQE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.89
Rot. Bonds7

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

3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide (PubChem CID 24793099) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide
PubChem CID24793099
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCC(C)c3ccccc3)o2)no1
InChIInChI=1S/C18H20N4O3/c1-12(14-6-4-3-5-7-14)11-19-16(23)8-9-17-20-21-18(24-17)15-10-13(2)25-22-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,23)
InChIKeyNMYCWUVJEMEZQE-UHFFFAOYSA-N
XLogP2.89
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide?
The IUPAC name of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide (CID 24793099) is 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide is Cc1cc(-c2nnc(CCC(=O)NCC(C)c3ccccc3)o2)no1.
What is the InChIKey of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide?
The InChIKey is NMYCWUVJEMEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(14-6-4-3-5-7-14)11-19-16(23)8-9-17-20-21-18(24-17)15-10-13(2)25-22-15/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,23).
What are the key properties of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide?
3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 24793099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).