N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

C20H15ClF2N4O2 — CID 66832117

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(Cc2cc(F)ccc2F)n1
InChIInChI=1S/C20H15ClF2N4O2/c21-13-1-4-17-15(9-13)11(10-25-17)5-6-24-20(28)19-26-18(29-27-19)8-12-7-14(22)2-3-16(12)23/h1-4,7,9-10,25H,5-6,8H2,(H,24,28)
InChIKeyJLKFYZOVYQASFU-UHFFFAOYSA-N
MW416.82 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 66832117) has the molecular formula C20H15ClF2N4O2 and a molecular weight of 416.82 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID66832117
Molecular FormulaC20H15ClF2N4O2
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(Cc2cc(F)ccc2F)n1
InChIInChI=1S/C20H15ClF2N4O2/c21-13-1-4-17-15(9-13)11(10-25-17)5-6-24-20(28)19-26-18(29-27-19)8-12-7-14(22)2-3-16(12)23/h1-4,7,9-10,25H,5-6,8H2,(H,24,28)
InChIKeyJLKFYZOVYQASFU-UHFFFAOYSA-N
XLogP4.05
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39309401
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 141441300
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 66831890
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 66831763
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 19022935
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
5-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2,4-thiadiazole-3-carboxamide
CID 66831924
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 66832117) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1noc(Cc2cc(F)ccc2F)n1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JLKFYZOVYQASFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O2/c21-13-1-4-17-15(9-13)11(10-25-17)5-6-24-20(28)19-26-18(29-27-19)8-12-7-14(22)2-3-16(12)23/h1-4,7,9-10,25H,5-6,8H2,(H,24,28).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 416.82 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 66832117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).