3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide

C18H20N4O2S — CID 110620271

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCCc2csc(C)n2)c2ccccc2)o1
InChIInChI=1S/C18H20N4O2S/c1-12-21-22-18(24-12)16(14-6-4-3-5-7-14)10-17(23)19-9-8-15-11-25-13(2)20-15/h3-7,11,16H,8-10H2,1-2H3,(H,19,23)
InChIKeyQXRFNPFAOCDWTI-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.02
Rot. Bonds7

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide (PubChem CID 110620271) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
PubChem CID110620271
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCCc2csc(C)n2)c2ccccc2)o1
InChIInChI=1S/C18H20N4O2S/c1-12-21-22-18(24-12)16(14-6-4-3-5-7-14)10-17(23)19-9-8-15-11-25-13(2)20-15/h3-7,11,16H,8-10H2,1-2H3,(H,19,23)
InChIKeyQXRFNPFAOCDWTI-UHFFFAOYSA-N
XLogP3.02
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 110414952
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110411477
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110612719
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 110605942
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide (CID 110620271) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide is Cc1nnc(C(CC(=O)NCCc2csc(C)n2)c2ccccc2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide?
The InChIKey is QXRFNPFAOCDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-21-22-18(24-12)16(14-6-4-3-5-7-14)10-17(23)19-9-8-15-11-25-13(2)20-15/h3-7,11,16H,8-10H2,1-2H3,(H,19,23).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide has a molecular weight of 356.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 110620271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).