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

C21H23N3O2 — CID 110414952

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
SMILESCc1nnc(C(CC(=O)NCCCc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H23N3O2/c1-16-23-24-21(26-16)19(18-12-6-3-7-13-18)15-20(25)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H,22,25)
InChIKeyGUOGUUHFWRBTIF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.65
Rot. Bonds8

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

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide (PubChem CID 110414952) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
PubChem CID110414952
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
SMILESCc1nnc(C(CC(=O)NCCCc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H23N3O2/c1-16-23-24-21(26-16)19(18-12-6-3-7-13-18)15-20(25)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H,22,25)
InChIKeyGUOGUUHFWRBTIF-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 110627823
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110411477
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
CID 110620271
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110612719
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 110605942
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670
N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110613618
methyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424323

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide (CID 110414952) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide is Cc1nnc(C(CC(=O)NCCCc2ccccc2)c2ccccc2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
The InChIKey is GUOGUUHFWRBTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-23-24-21(26-16)19(18-12-6-3-7-13-18)15-20(25)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,19H,8,11,14-15H2,1H3,(H,22,25).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 110414952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).