2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide

C16H22N4O2 — CID 119344382

IUPAC2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H22N4O2/c1-3-7-13(17)15(21)18-11(2)16-19-14(20-22-16)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10,17H2,1-2H3,(H,18,21)
InChIKeySLVAANKZBOSBRD-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.97
Rot. Bonds7

About 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide

2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide (PubChem CID 119344382) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
PubChem CID119344382
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H22N4O2/c1-3-7-13(17)15(21)18-11(2)16-19-14(20-22-16)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10,17H2,1-2H3,(H,18,21)
InChIKeySLVAANKZBOSBRD-UHFFFAOYSA-N
XLogP1.97
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119344376
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
CID 119344366
2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119342802
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840880
ethyl 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylbutanoate
CID 79481197
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111841214
N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 96543683
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111841207
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120796390
[3-amino-3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid
CID 138689155
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500383

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide (CID 119344382) is 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The InChIKey is SLVAANKZBOSBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-7-13(17)15(21)18-11(2)16-19-14(20-22-16)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10,17H2,1-2H3,(H,18,21).
What are the key properties of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide has a molecular weight of 302.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 119344382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).