2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

C14H18N4O2 — CID 120838525

IUPAC2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC(N)C(C)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-9(10(2)15)14-17-12(18-20-14)8-13(19)16-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,16,19)
InChIKeyOPHYBOZWXSPSGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds5

About 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 120838525) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID120838525
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC(N)C(C)c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-9(10(2)15)14-17-12(18-20-14)8-13(19)16-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,16,19)
InChIKeyOPHYBOZWXSPSGL-UHFFFAOYSA-N
XLogP1.70
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527
2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 75524613
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
2-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103500449
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838527

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (CID 120838525) is 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is CC(N)C(C)c1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is OPHYBOZWXSPSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(10(2)15)14-17-12(18-20-14)8-13(19)16-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 274.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 120838525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).