[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C20H25N5O2 — CID 120997655

IUPAC[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C20H25N5O2/c26-20(25-10-7-17(13-25)24-11-8-21-9-12-24)16-5-3-15(4-6-16)19-22-18(23-27-19)14-1-2-14/h3-6,14,17,21H,1-2,7-13H2
InChIKeyXJBRPMTVAFGQOO-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.73
Rot. Bonds4

About [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120997655) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120997655
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C20H25N5O2/c26-20(25-10-7-17(13-25)24-11-8-21-9-12-24)16-5-3-15(4-6-16)19-22-18(23-27-19)14-1-2-14/h3-6,14,17,21H,1-2,7-13H2
InChIKeyXJBRPMTVAFGQOO-UHFFFAOYSA-N
XLogP1.73
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579142
(3-piperazin-1-ylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120995892
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
CID 120995696
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120997409
(1-tert-butylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997987
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105
(3-piperazin-1-ylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120995898
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 166331693

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120997655) is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is XJBRPMTVAFGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20(25-10-7-17(13-25)24-11-8-21-9-12-24)16-5-3-15(4-6-16)19-22-18(23-27-19)14-1-2-14/h3-6,14,17,21H,1-2,7-13H2.
What are the key properties of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120997655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).