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

C20H20ClN3O2 — CID 110416583

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCCc2cccc(Cl)c2)c2ccccc2)o1
InChIInChI=1S/C20H20ClN3O2/c1-14-23-24-20(26-14)18(16-7-3-2-4-8-16)13-19(25)22-11-10-15-6-5-9-17(21)12-15/h2-9,12,18H,10-11,13H2,1H3,(H,22,25)
InChIKeyFKAIQRXPAIWRHN-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.91
Rot. Bonds7

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

N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110416583) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110416583
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCCc2cccc(Cl)c2)c2ccccc2)o1
InChIInChI=1S/C20H20ClN3O2/c1-14-23-24-20(26-14)18(16-7-3-2-4-8-16)13-19(25)22-11-10-15-6-5-9-17(21)12-15/h2-9,12,18H,10-11,13H2,1H3,(H,22,25)
InChIKeyFKAIQRXPAIWRHN-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 110627823
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 110414952
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
CID 110620271
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
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
N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428980
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110416583) is N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is Cc1nnc(C(CC(=O)NCCc2cccc(Cl)c2)c2ccccc2)o1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is FKAIQRXPAIWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-23-24-20(26-14)18(16-7-3-2-4-8-16)13-19(25)22-11-10-15-6-5-9-17(21)12-15/h2-9,12,18H,10-11,13H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 369.85 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110416583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).