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

C18H20N4O3 — CID 25457533

IUPAC3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCCCc3ccccc3)o2)no1
InChIInChI=1S/C18H20N4O3/c1-13-12-15(22-25-13)18-21-20-17(24-18)10-9-16(23)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11H2,1H3,(H,19,23)
InChIKeySKNSHQLDOXTLMY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.71
Rot. Bonds8

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

3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide (PubChem CID 25457533) 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-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide
PubChem CID25457533
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-(3-phenylpropyl)propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCCCc3ccccc3)o2)no1
InChIInChI=1S/C18H20N4O3/c1-13-12-15(22-25-13)18-21-20-17(24-18)10-9-16(23)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11H2,1H3,(H,19,23)
InChIKeySKNSHQLDOXTLMY-UHFFFAOYSA-N
XLogP2.71
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide (CID 25457533) is 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide is Cc1cc(-c2nnc(CCC(=O)NCCCc3ccccc3)o2)no1.
What is the InChIKey of 3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide?
The InChIKey is SKNSHQLDOXTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-12-15(22-25-13)18-21-20-17(24-18)10-9-16(23)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11H2,1H3,(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-(3-phenylpropyl)propanamide?
3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.71, 8 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-(3-phenylpropyl)propanamide is sourced from PubChem (CID 25457533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).