2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide

C24H31ClN6O3 — CID 68538155

IUPAC2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(N)=O)CCN1Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1
InChIInChI=1S/C24H31ClN6O3/c1-16-11-29(14-21(26)32)7-8-30(16)15-22-27-24(28-34-22)19-13-31(12-17-5-9-33-10-6-17)23-18(19)3-2-4-20(23)25/h2-4,13,16-17H,5-12,14-15H2,1H3,(H2,26,32)/t16-/m1/s1
InChIKeyCMJLZRWSUVWTPL-MRXNPFEDSA-N
MW487.00 g/mol
LogP2.76
Rot. Bonds7

About 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide

2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide (PubChem CID 68538155) has the molecular formula C24H31ClN6O3 and a molecular weight of 487.00 g/mol. Its IUPAC name is 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide
PubChem CID68538155
Molecular FormulaC24H31ClN6O3
Molecular Weight487.00 g/mol
Exact Mass486.21
IUPAC Name2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(N)=O)CCN1Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1
InChIInChI=1S/C24H31ClN6O3/c1-16-11-29(14-21(26)32)7-8-30(16)15-22-27-24(28-34-22)19-13-31(12-17-5-9-33-10-6-17)23-18(19)3-2-4-20(23)25/h2-4,13,16-17H,5-12,14-15H2,1H3,(H2,26,32)/t16-/m1/s1
InChIKeyCMJLZRWSUVWTPL-MRXNPFEDSA-N
XLogP2.76
TPSA102.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[(4S)-5-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide
CID 68536692
3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 68536644
4-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-3H-1,3-thiazol-2-one
CID 140512708
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24507460
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
[1-[[5-[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 58854668
2-[4-[[3-[2-[1-(oxan-4-ylmethyl)indol-3-yl]ethyl]-1,2,4-thiadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 89437616
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38158820
2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
CID 102604202
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
1-[[3-[7-chloro-1-[(1,1-dioxothian-4-yl)methyl]indol-3-yl]-1,2,4-thiadiazol-5-yl]methyl]piperidin-4-ol
CID 68676529

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide (CID 68538155) is 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(N)=O)CCN1Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1.
What is the InChIKey of 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide?
The InChIKey is CMJLZRWSUVWTPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31ClN6O3/c1-16-11-29(14-21(26)32)7-8-30(16)15-22-27-24(28-34-22)19-13-31(12-17-5-9-33-10-6-17)23-18(19)3-2-4-20(23)25/h2-4,13,16-17H,5-12,14-15H2,1H3,(H2,26,32)/t16-/m1/s1.
What are the key properties of 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide?
2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide has a molecular weight of 487.00 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 68538155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).