[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone

C28H24ClN5O2 — CID 46099855

IUPAC[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1
InChIInChI=1S/C28H24ClN5O2/c29-23-8-2-7-22(17-23)27-31-26(32-36-27)21-6-1-4-19(16-21)18-33-12-14-34(15-13-33)28(35)24-9-3-5-20-10-11-30-25(20)24/h1-11,16-17,30H,12-15,18H2
InChIKeyVVSLAKZVLHKOST-UHFFFAOYSA-N
MW497.99 g/mol
LogP5.50
Rot. Bonds5

About [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone

[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 46099855) has the molecular formula C28H24ClN5O2 and a molecular weight of 497.99 g/mol. Its IUPAC name is [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
PubChem CID46099855
Molecular FormulaC28H24ClN5O2
Molecular Weight497.99 g/mol
Exact Mass497.16
IUPAC Name[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1
InChIInChI=1S/C28H24ClN5O2/c29-23-8-2-7-22(17-23)27-31-26(32-36-27)21-6-1-4-19(16-21)18-33-12-14-34(15-13-33)28(35)24-9-3-5-20-10-11-30-25(20)24/h1-11,16-17,30H,12-15,18H2
InChIKeyVVSLAKZVLHKOST-UHFFFAOYSA-N
XLogP5.50
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.99
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 46099889
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 42692089
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42692102
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
CID 96559171
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 19323523
4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carbothioic S-acid
CID 91120942
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 53327739
2-(4-fluorophenoxy)-1-[4-[[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone
CID 46099894
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 4538481
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 52677697
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 50755658

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone (CID 46099855) is [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone is O=C(c1cccc2cc[nH]c12)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1.
What is the InChIKey of [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is VVSLAKZVLHKOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O2/c29-23-8-2-7-22(17-23)27-31-26(32-36-27)21-6-1-4-19(16-21)18-33-12-14-34(15-13-33)28(35)24-9-3-5-20-10-11-30-25(20)24/h1-11,16-17,30H,12-15,18H2.
What are the key properties of [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone?
[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone has a molecular weight of 497.99 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 46099855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).