N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C21H30N4O2 — CID 50832078

IUPACN-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)CCNC(=O)CCc1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-13-22-19(26)10-11-20-23-21(24-27-20)17-6-8-18(9-7-17)25-14-4-3-5-15-25/h6-9,16H,3-5,10-15H2,1-2H3,(H,22,26)
InChIKeyBSOXBOAPCXIOFA-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.82
Rot. Bonds8

About N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50832078) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID50832078
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)CCNC(=O)CCc1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-13-22-19(26)10-11-20-23-21(24-27-20)17-6-8-18(9-7-17)25-14-4-3-5-15-25/h6-9,16H,3-5,10-15H2,1-2H3,(H,22,26)
InChIKeyBSOXBOAPCXIOFA-UHFFFAOYSA-N
XLogP3.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
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3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
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N-[3-(azepan-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851549
3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 92896631
2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
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3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
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N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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N-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18160853
N-(4-pyrrolidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17485381
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 50832078) is N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)CCNC(=O)CCc1nc(-c2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is BSOXBOAPCXIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)12-13-22-19(26)10-11-20-23-21(24-27-20)17-6-8-18(9-7-17)25-14-4-3-5-15-25/h6-9,16H,3-5,10-15H2,1-2H3,(H,22,26).
What are the key properties of N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50832078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).