2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide

C13H16N4O2 — CID 120670661

IUPAC2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NC(C)c2ncon2)cc1
InChIInChI=1S/C13H16N4O2/c1-8-3-5-10(6-4-8)11(14)13(18)16-9(2)12-15-7-19-17-12/h3-7,9,11H,14H2,1-2H3,(H,16,18)
InChIKeyQGKAKWIORAIUIF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide

2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 120670661) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID120670661
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NC(C)c2ncon2)cc1
InChIInChI=1S/C13H16N4O2/c1-8-3-5-10(6-4-8)11(14)13(18)16-9(2)12-15-7-19-17-12/h3-7,9,11H,14H2,1-2H3,(H,16,18)
InChIKeyQGKAKWIORAIUIF-UHFFFAOYSA-N
XLogP1.26
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 130831803
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
2-amino-2-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 120666863
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106312576
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 106312699
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
2-amino-N-(1,1-dimethoxypropan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312416
methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate
CID 106312267
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 120670661) is 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is Cc1ccc(C(N)C(=O)NC(C)c2ncon2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is QGKAKWIORAIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-3-5-10(6-4-8)11(14)13(18)16-9(2)12-15-7-19-17-12/h3-7,9,11H,14H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 120670661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).