N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H26N4O3S — CID 71869666

IUPACN-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1ccc(CCN2CCC(O)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c27-18-10-13-26(14-11-18)12-9-16-3-5-17(6-4-16)23-20(28)7-8-21-24-22(25-29-21)19-2-1-15-30-19/h1-6,15,18,27H,7-14H2,(H,23,28)
InChIKeyMZOGEEQUTUSYCH-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.37
Rot. Bonds8

About N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 71869666) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID71869666
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)Nc1ccc(CCN2CCC(O)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c27-18-10-13-26(14-11-18)12-9-16-3-5-17(6-4-16)23-20(28)7-8-21-24-22(25-29-21)19-2-1-15-30-19/h1-6,15,18,27H,7-14H2,(H,23,28)
InChIKeyMZOGEEQUTUSYCH-UHFFFAOYSA-N
XLogP3.37
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39995844
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
N-(4-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049827
N-(4-methylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089801
1-[4-(2-phenylethyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18121597
N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 52713219
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 49055169
N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24652788

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 71869666) is N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(CCN2CCC(O)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MZOGEEQUTUSYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c27-18-10-13-26(14-11-18)12-9-16-3-5-17(6-4-16)23-20(28)7-8-21-24-22(25-29-21)19-2-1-15-30-19/h1-6,15,18,27H,7-14H2,(H,23,28).
What are the key properties of N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 426.54 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 71869666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).