3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

C23H28N6O2 — CID 55705568

IUPAC3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NC3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C23H28N6O2/c1-16(2)17-4-6-18(7-5-17)22-27-21(31-28-22)9-8-20(30)26-19-10-14-29(15-11-19)23-24-12-3-13-25-23/h3-7,12-13,16,19H,8-11,14-15H2,1-2H3,(H,26,30)
InChIKeyGJCKNAKXAQMAAN-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.37
Rot. Bonds7

About 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (PubChem CID 55705568) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
PubChem CID55705568
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NC3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C23H28N6O2/c1-16(2)17-4-6-18(7-5-17)22-27-21(31-28-22)9-8-20(30)26-19-10-14-29(15-11-19)23-24-12-3-13-25-23/h3-7,12-13,16,19H,8-11,14-15H2,1-2H3,(H,26,30)
InChIKeyGJCKNAKXAQMAAN-UHFFFAOYSA-N
XLogP3.37
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55931412
N-piperidin-3-yl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119425634
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
N-(2-oxoazepan-3-yl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 75414800
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 119489292
[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53008817
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 46485770
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (CID 55705568) is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is CC(C)c1ccc(-c2noc(CCC(=O)NC3CCN(c4ncccn4)CC3)n2)cc1.
What is the InChIKey of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is GJCKNAKXAQMAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16(2)17-4-6-18(7-5-17)22-27-21(31-28-22)9-8-20(30)26-19-10-14-29(15-11-19)23-24-12-3-13-25-23/h3-7,12-13,16,19H,8-11,14-15H2,1-2H3,(H,26,30).
What are the key properties of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 420.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 55705568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).