N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide

C15H15N5O2 — CID 71970431

IUPACN-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCNC(=O)Cc1noc(Cc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C15H15N5O2/c1-16-14(21)10-13-18-15(22-19-13)9-11-3-5-12(6-4-11)20-8-2-7-17-20/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyGNIDPZCFAMWDHE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.13
Rot. Bonds5

About N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide

N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 71970431) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID71970431
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCNC(=O)Cc1noc(Cc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C15H15N5O2/c1-16-14(21)10-13-18-15(22-19-13)9-11-3-5-12(6-4-11)20-8-2-7-17-20/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyGNIDPZCFAMWDHE-UHFFFAOYSA-N
XLogP1.13
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115079073
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
CID 25380749
2-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079127
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 43819055
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46473158
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 131962236
7-[(4-pyrazol-1-ylphenyl)methyl]furo[3,2-b]pyridine-5-carboxylic acid
CID 142503654
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 98680919
(4-pyrazol-1-ylphenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 33078666

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 71970431) is N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide is CNC(=O)Cc1noc(Cc2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is GNIDPZCFAMWDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-16-14(21)10-13-18-15(22-19-13)9-11-3-5-12(6-4-11)20-8-2-7-17-20/h2-8H,9-10H2,1H3,(H,16,21).
What are the key properties of N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 297.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 71970431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).