3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole

C22H26ClN5O2 — CID 97066793

IUPAC3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESCc1nc([C@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN5O2/c1-14-20(16-5-7-18(23)8-6-16)29-21(24-14)15(2)28-11-9-27(10-12-28)13-19-25-22(30-26-19)17-3-4-17/h5-8,15,17H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyCGXYCGJEHOFMGA-HNNXBMFYSA-N
MW427.94 g/mol
LogP4.44
Rot. Bonds6

About 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole

3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 97066793) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID97066793
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESCc1nc([C@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN5O2/c1-14-20(16-5-7-18(23)8-6-16)29-21(24-14)15(2)28-11-9-27(10-12-28)13-19-25-22(30-26-19)17-3-4-17/h5-8,15,17H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyCGXYCGJEHOFMGA-HNNXBMFYSA-N
XLogP4.44
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 167959661
4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
CID 91839373
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278685
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134706760
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226
3-[(4-chlorophenyl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 167837913
2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344677
1-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966872
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848408
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 97317023

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole (CID 97066793) is 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole is Cc1nc([C@H](C)N2CCN(Cc3noc(C4CC4)n3)CC2)oc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is CGXYCGJEHOFMGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-14-20(16-5-7-18(23)8-6-16)29-21(24-14)15(2)28-11-9-27(10-12-28)13-19-25-22(30-26-19)17-3-4-17/h5-8,15,17H,3-4,9-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole?
3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 427.94 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 97066793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).