N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide

C22H20N6O3 — CID 42162905

IUPACN-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide
SMILESO=C(Cn1cc(NC(=O)c2ccccc2)cn1)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H20N6O3/c29-19(23-12-11-20-26-21(27-31-20)16-7-3-1-4-8-16)15-28-14-18(13-24-28)25-22(30)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,23,29)(H,25,30)
InChIKeySPDWYXRNHYERBO-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.54
Rot. Bonds8

About N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide

N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide (PubChem CID 42162905) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide
PubChem CID42162905
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide
SMILESO=C(Cn1cc(NC(=O)c2ccccc2)cn1)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H20N6O3/c29-19(23-12-11-20-26-21(27-31-20)16-7-3-1-4-8-16)15-28-14-18(13-24-28)25-22(30)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,23,29)(H,25,30)
InChIKeySPDWYXRNHYERBO-UHFFFAOYSA-N
XLogP2.54
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
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N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
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N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
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2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
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3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
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2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
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N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 92632302
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide (CID 42162905) is N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide is O=C(Cn1cc(NC(=O)c2ccccc2)cn1)NCCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide?
The InChIKey is SPDWYXRNHYERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-19(23-12-11-20-26-21(27-31-20)16-7-3-1-4-8-16)15-28-14-18(13-24-28)25-22(30)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,23,29)(H,25,30).
What are the key properties of N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide?
N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide has a molecular weight of 416.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 42162905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).