2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C24H29N5O2 — CID 53114680

IUPAC2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3cccc3-c3nnc(C4CCC4)o3)CC2)c1C
InChIInChI=1S/C24H29N5O2/c1-17-6-3-9-20(18(17)2)27-12-14-28(15-13-27)22(30)16-29-11-5-10-21(29)24-26-25-23(31-24)19-7-4-8-19/h3,5-6,9-11,19H,4,7-8,12-16H2,1-2H3
InChIKeyKUJQKDVGDJUECY-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.77
Rot. Bonds5

About 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 53114680) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID53114680
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3cccc3-c3nnc(C4CCC4)o3)CC2)c1C
InChIInChI=1S/C24H29N5O2/c1-17-6-3-9-20(18(17)2)27-12-14-28(15-13-27)22(30)16-29-11-5-10-21(29)24-26-25-23(31-24)19-7-4-8-19/h3,5-6,9-11,19H,4,7-8,12-16H2,1-2H3
InChIKeyKUJQKDVGDJUECY-UHFFFAOYSA-N
XLogP3.77
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 53114556
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]ethanone
CID 53114706
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4188285
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110854402
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 53114680) is 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cn3cccc3-c3nnc(C4CCC4)o3)CC2)c1C.
What is the InChIKey of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is KUJQKDVGDJUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-6-3-9-20(18(17)2)27-12-14-28(15-13-27)22(30)16-29-11-5-10-21(29)24-26-25-23(31-24)19-7-4-8-19/h3,5-6,9-11,19H,4,7-8,12-16H2,1-2H3.
What are the key properties of 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 419.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 53114680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).