N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide

C20H14ClF2N5O2 — CID 59547977

IUPACN-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1noc(-c2ccc(Cl)c(Cn3ccc(NC(=O)c4c(F)cccc4F)n3)c2)n1
InChIInChI=1S/C20H14ClF2N5O2/c1-11-24-20(30-27-11)12-5-6-14(21)13(9-12)10-28-8-7-17(26-28)25-19(29)18-15(22)3-2-4-16(18)23/h2-9H,10H2,1H3,(H,25,26,29)
InChIKeyVNCBEFYRHIDLJU-UHFFFAOYSA-N
MW429.81 g/mol
LogP4.47
Rot. Bonds5

About N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide

N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide (PubChem CID 59547977) has the molecular formula C20H14ClF2N5O2 and a molecular weight of 429.81 g/mol. Its IUPAC name is N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
PubChem CID59547977
Molecular FormulaC20H14ClF2N5O2
Molecular Weight429.81 g/mol
Exact Mass429.08
IUPAC NameN-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1noc(-c2ccc(Cl)c(Cn3ccc(NC(=O)c4c(F)cccc4F)n3)c2)n1
InChIInChI=1S/C20H14ClF2N5O2/c1-11-24-20(30-27-11)12-5-6-14(21)13(9-12)10-28-8-7-17(26-28)25-19(29)18-15(22)3-2-4-16(18)23/h2-9H,10H2,1H3,(H,25,26,29)
InChIKeyVNCBEFYRHIDLJU-UHFFFAOYSA-N
XLogP4.47
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171730
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 71860510
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 75377244
5-(4-Chlorophenyl)-3-[3-(1-methyl-1H-pyrazol-5-YL)phenyl]-1,2,4-oxadiazole
CID 53138476
5-(2-chlorophenyl)-3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 53138528
5-[5-(2-Chlorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171746
5-(5-chloro-2-fluorophenyl)-3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 53138581
5-[5-(5-Chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171731
Methyl 4-chloro-3-[(3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-pyrazol-1-yl)methyl]benzoate
CID 59547941
N-(1-{[2-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 59547952
4-Chloro-3-[(3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-pyrazol-1-yl)methyl]benzoic acid
CID 59547965
amino 4-chloro-3-[[3-[(2,6-difluorobenzoyl)amino]pyrazol-1-yl]methyl]-N-prop-1-en-2-ylbenzenecarboximidate
CID 70222740

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide (CID 59547977) is N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide is Cc1noc(-c2ccc(Cl)c(Cn3ccc(NC(=O)c4c(F)cccc4F)n3)c2)n1.
What is the InChIKey of N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is VNCBEFYRHIDLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N5O2/c1-11-24-20(30-27-11)12-5-6-14(21)13(9-12)10-28-8-7-17(26-28)25-19(29)18-15(22)3-2-4-16(18)23/h2-9H,10H2,1H3,(H,25,26,29).
What are the key properties of N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 429.81 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 59547977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).