N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride

C12H16ClN5O2 — CID 120834493

IUPACN-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
SMILESCC(=O)NC(C)(C)c1noc(-c2cnccc2N)n1.Cl
InChIInChI=1S/C12H15N5O2.ClH/c1-7(18)16-12(2,3)11-15-10(19-17-11)8-6-14-5-4-9(8)13;/h4-6H,1-3H3,(H2,13,14)(H,16,18);1H
InChIKeyQXCPFYARWIQIMO-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.51
Rot. Bonds3

About N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride

N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride (PubChem CID 120834493) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
PubChem CID120834493
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC NameN-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
SMILESCC(=O)NC(C)(C)c1noc(-c2cnccc2N)n1.Cl
InChIInChI=1S/C12H15N5O2.ClH/c1-7(18)16-12(2,3)11-15-10(19-17-11)8-6-14-5-4-9(8)13;/h4-6H,1-3H3,(H2,13,14)(H,16,18);1H
InChIKeyQXCPFYARWIQIMO-UHFFFAOYSA-N
XLogP1.51
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 167780374
N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71874129
N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71970083
N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 99838281
N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71978816
N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 136515906
N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71931336
2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 100611516
N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 127919726
N-[2-[5-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraen-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71876202
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-chloroaniline
CID 29269319
N-(4-amino-3-pyridinyl)acetamide
CID 11593462

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride (CID 120834493) is N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride is CC(=O)NC(C)(C)c1noc(-c2cnccc2N)n1.Cl.
What is the InChIKey of N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
The InChIKey is QXCPFYARWIQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2.ClH/c1-7(18)16-12(2,3)11-15-10(19-17-11)8-6-14-5-4-9(8)13;/h4-6H,1-3H3,(H2,13,14)(H,16,18);1H.
What are the key properties of N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride has a molecular weight of 297.75 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 120834493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).