3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide

C21H17N5O2 — CID 166191116

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C21H17N5O2/c27-20(23-17-12-22-25-18(17)13-5-2-1-3-6-13)16-8-4-7-15(11-16)19-24-21(28-26-19)14-9-10-14/h1-8,11-12,14H,9-10H2,(H,22,25)(H,23,27)
InChIKeyDCVWHRYNFNSDJX-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.26
Rot. Bonds5

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide (PubChem CID 166191116) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
PubChem CID166191116
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C21H17N5O2/c27-20(23-17-12-22-25-18(17)13-5-2-1-3-6-13)16-8-4-7-15(11-16)19-24-21(28-26-19)14-9-10-14/h1-8,11-12,14H,9-10H2,(H,22,25)(H,23,27)
InChIKeyDCVWHRYNFNSDJX-UHFFFAOYSA-N
XLogP4.26
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
CID 166302069
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide
CID 50779088
N-(5-phenyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
CID 146085335
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
CID 50778913
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 50779005
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829153
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide (CID 166191116) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide is O=C(Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is DCVWHRYNFNSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-20(23-17-12-22-25-18(17)13-5-2-1-3-6-13)16-8-4-7-15(11-16)19-24-21(28-26-19)14-9-10-14/h1-8,11-12,14H,9-10H2,(H,22,25)(H,23,27).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 371.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 166191116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).