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

C15H20N4O2 — CID 119344366

IUPAC2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)N)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H20N4O2/c1-10(17-14(20)15(2,3)16)13-18-12(19-21-13)9-11-7-5-4-6-8-11/h4-8,10H,9,16H2,1-3H3,(H,17,20)
InChIKeyVHHNJSREMRSXOJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.57
Rot. Bonds5

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

2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide (PubChem CID 119344366) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
PubChem CID119344366
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)N)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H20N4O2/c1-10(17-14(20)15(2,3)16)13-18-12(19-21-13)9-11-7-5-4-6-8-11/h4-8,10H,9,16H2,1-3H3,(H,17,20)
InChIKeyVHHNJSREMRSXOJ-UHFFFAOYSA-N
XLogP1.57
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 96543683
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 119344382
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840880
(2S)-2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119344376
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
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-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500383
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120796389
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 119344384

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide (CID 119344366) is 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide is CC(NC(=O)C(C)(C)N)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide?
The InChIKey is VHHNJSREMRSXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(17-14(20)15(2,3)16)13-18-12(19-21-13)9-11-7-5-4-6-8-11/h4-8,10H,9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide?
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide has a molecular weight of 288.35 g/mol, XLogP of 1.57, 5 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]-2-methylpropanamide is sourced from PubChem (CID 119344366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).