(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

C20H22N4O3 — CID 35127035

IUPAC(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1
InChIInChI=1S/C20H22N4O3/c1-2-15-5-7-16(8-6-15)20(25)24-11-9-23(10-12-24)14-18-21-22-19(27-18)17-4-3-13-26-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyPFQVQKFDMDWYLU-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.85
Rot. Bonds5

About (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone

(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 35127035) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID35127035
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1
InChIInChI=1S/C20H22N4O3/c1-2-15-5-7-16(8-6-15)20(25)24-11-9-23(10-12-24)14-18-21-22-19(27-18)17-4-3-13-26-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyPFQVQKFDMDWYLU-UHFFFAOYSA-N
XLogP2.85
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 36875761
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 37084291
1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 35486547
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
2-(furan-2-yl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9393493
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 9381437
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26495651
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 9442964
[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 30803824

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone (CID 35127035) is (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is PFQVQKFDMDWYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-15-5-7-16(8-6-15)20(25)24-11-9-23(10-12-24)14-18-21-22-19(27-18)17-4-3-13-26-17/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35127035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).