2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile

C24H30ClN5O2 — CID 158275395

IUPAC2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile
SMILESCc1c(Cc2nnc(CC#N)o2)cc(Cl)cc1CN1CCN(C(=O)C2CCCC2)[C@@H](C)C1
InChIInChI=1S/C24H30ClN5O2/c1-16-14-29(9-10-30(16)24(31)18-5-3-4-6-18)15-20-12-21(25)11-19(17(20)2)13-23-28-27-22(32-23)7-8-26/h11-12,16,18H,3-7,9-10,13-15H2,1-2H3/t16-/m0/s1
InChIKeyGJNVCVFRBSPGQX-INIZCTEOSA-N
MW455.99 g/mol
LogP3.91
Rot. Bonds6

About 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile

2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile (PubChem CID 158275395) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile
PubChem CID158275395
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC Name2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile
SMILESCc1c(Cc2nnc(CC#N)o2)cc(Cl)cc1CN1CCN(C(=O)C2CCCC2)[C@@H](C)C1
InChIInChI=1S/C24H30ClN5O2/c1-16-14-29(9-10-30(16)24(31)18-5-3-4-6-18)15-20-12-21(25)11-19(17(20)2)13-23-28-27-22(32-23)7-8-26/h11-12,16,18H,3-7,9-10,13-15H2,1-2H3/t16-/m0/s1
InChIKeyGJNVCVFRBSPGQX-INIZCTEOSA-N
XLogP3.91
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile with MolForge

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Related Compounds

[(2S)-4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazin-1-yl]-cyclopentylmethanone
CID 90204308
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-4-cyanobutanamide
CID 118541414
1-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-4-methylsulfonylbutan-2-one
CID 147445686
N-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]butanamide
CID 147091217
[(2S)-4-[[5-chloro-2-methyl-3-(methylamino)phenyl]methyl]-2-methylpiperazin-1-yl]-cyclopentylmethanone;4-(methylamino)butanal
CID 144965722
propan-2-yl (2S)-4-[[5-chloro-3-[[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylphenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 158393003
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-cyanopyridine-4-carboxamide
CID 118541235
[2-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylanilino]-2-oxoethyl] N-methylcarbamate
CID 130201836
1-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-3-(thiolan-3-yl)propan-2-one
CID 158618982
N-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5,5,5-trifluoropentanamide
CID 118544733
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-(oxan-4-yl)acetamide
CID 130201823
N-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-(oxan-3-yl)acetamide
CID 118544588

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile (CID 158275395) is 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile is Cc1c(Cc2nnc(CC#N)o2)cc(Cl)cc1CN1CCN(C(=O)C2CCCC2)[C@@H](C)C1.
What is the InChIKey of 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
The InChIKey is GJNVCVFRBSPGQX-INIZCTEOSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c1-16-14-29(9-10-30(16)24(31)18-5-3-4-6-18)15-20-12-21(25)11-19(17(20)2)13-23-28-27-22(32-23)7-8-26/h11-12,16,18H,3-7,9-10,13-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile has a molecular weight of 455.99 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]methyl]-1,3,4-oxadiazol-2-yl]acetonitrile is sourced from PubChem (CID 158275395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).