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

C16H17N5O2 — CID 71976229

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C16H17N5O2/c1-11(18-16(22)13-9-17-21(2)10-13)15-19-14(23-20-15)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,18,22)
InChIKeyXJCINZLFVXRAEY-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.88
Rot. Bonds5

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

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 71976229) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID71976229
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C16H17N5O2/c1-11(18-16(22)13-9-17-21(2)10-13)15-19-14(23-20-15)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,18,22)
InChIKeyXJCINZLFVXRAEY-UHFFFAOYSA-N
XLogP1.88
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
CID 84595307
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
CID 71923906
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952323
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
(2S,5R)-5-(aminomethyl)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 120795854
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154877094
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936431
1-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111861288
1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 95156422
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71860907

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide (CID 71976229) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is XJCINZLFVXRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11(18-16(22)13-9-17-21(2)10-13)15-19-14(23-20-15)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71976229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).