4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

C20H17N5O2 — CID 39697430

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2)n1
InChIInChI=1S/C20H17N5O2/c1-14-22-20(27-24-14)17-8-6-16(7-9-17)19(26)23-18-5-2-4-15(12-18)13-25-11-3-10-21-25/h2-12H,13H2,1H3,(H,23,26)
InChIKeyQCXUYWGTDIPYFJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.54
Rot. Bonds5

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 39697430) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID39697430
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCc1noc(-c2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2)n1
InChIInChI=1S/C20H17N5O2/c1-14-22-20(27-24-14)17-8-6-16(7-9-17)19(26)23-18-5-2-4-15(12-18)13-25-11-3-10-21-25/h2-12H,13H2,1H3,(H,23,26)
InChIKeyQCXUYWGTDIPYFJ-UHFFFAOYSA-N
XLogP3.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
N-[3-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33439699
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
4-bromo-N-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]benzamide
CID 55612876
3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 46975885
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 36715719
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 31861070
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39696626
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 39697430) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is Cc1noc(-c2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is QCXUYWGTDIPYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-14-22-20(27-24-14)17-8-6-16(7-9-17)19(26)23-18-5-2-4-15(12-18)13-25-11-3-10-21-25/h2-12H,13H2,1H3,(H,23,26).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 39697430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).