N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H15ClN6O2 — CID 55807161

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccnc2)no1)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C19H15ClN6O2/c20-14-4-5-16(26-10-2-9-22-26)15(11-14)23-17(27)6-7-18-24-19(25-28-18)13-3-1-8-21-12-13/h1-5,8-12H,6-7H2,(H,23,27)
InChIKeyYRRIHZMIBPHRQX-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.54
Rot. Bonds6

About N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55807161) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55807161
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccnc2)no1)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C19H15ClN6O2/c20-14-4-5-16(26-10-2-9-22-26)15(11-14)23-17(27)6-7-18-24-19(25-28-18)13-3-1-8-21-12-13/h1-5,8-12H,6-7H2,(H,23,27)
InChIKeyYRRIHZMIBPHRQX-UHFFFAOYSA-N
XLogP3.54
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55763749
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CID 53047544
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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N-(5-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(2-phenoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(2,5-dimethylpyrazol-3-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46472839
N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55624880
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26687929
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55991123
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55807161) is N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccnc2)no1)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is YRRIHZMIBPHRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c20-14-4-5-16(26-10-2-9-22-26)15(11-14)23-17(27)6-7-18-24-19(25-28-18)13-3-1-8-21-12-13/h1-5,8-12H,6-7H2,(H,23,27).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 394.82 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55807161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).