[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C26H31N5O2 — CID 69185358

IUPAC[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ccc(-c4nnc(-c5ccccc5)o4)cc3)C2)CC1
InChIInChI=1S/C26H31N5O2/c1-19(2)29-14-16-30(17-15-29)26(32)22-12-13-31(18-22)23-10-8-21(9-11-23)25-28-27-24(33-25)20-6-4-3-5-7-20/h3-11,19,22H,12-18H2,1-2H3
InChIKeyIGSLFRDFOPKRTK-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.78
Rot. Bonds5

About [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 69185358) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID69185358
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ccc(-c4nnc(-c5ccccc5)o4)cc3)C2)CC1
InChIInChI=1S/C26H31N5O2/c1-19(2)29-14-16-30(17-15-29)26(32)22-12-13-31(18-22)23-10-8-21(9-11-23)25-28-27-24(33-25)20-6-4-3-5-7-20/h3-11,19,22H,12-18H2,1-2H3
InChIKeyIGSLFRDFOPKRTK-UHFFFAOYSA-N
XLogP3.78
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 57463709
[(3S)-1-phenylpyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;propan-2-one
CID 143211663
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
N-(1-aminoethylidene)-3-[(3S)-3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide
CID 143211671
[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone;hydrochloride
CID 69136130
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166825
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone
CID 69187418
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53166928
(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-(1-propan-2-ylpiperidin-3-yl)methanone
CID 72922491
2-[4-[3-[(Z)-but-2-en-2-yl]pyrrolidin-1-yl]phenyl]-5-[(2-methyl-5-phenylfuran-3-yl)methyl]-1,3,4-oxadiazole
CID 143081360
cyclopentyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]methanone;molecular hydrogen
CID 159001872

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 69185358) is [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCN(c3ccc(-c4nnc(-c5ccccc5)o4)cc3)C2)CC1.
What is the InChIKey of [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is IGSLFRDFOPKRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19(2)29-14-16-30(17-15-29)26(32)22-12-13-31(18-22)23-10-8-21(9-11-23)25-28-27-24(33-25)20-6-4-3-5-7-20/h3-11,19,22H,12-18H2,1-2H3.
What are the key properties of [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 445.57 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 69185358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).