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

C16H16N4O3S — CID 75463056

IUPAC[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(Cc2noc(-c3ccoc3)n2)CC1
InChIInChI=1S/C16H16N4O3S/c21-16(13-2-8-24-11-13)20-5-3-19(4-6-20)9-14-17-15(23-18-14)12-1-7-22-10-12/h1-2,7-8,10-11H,3-6,9H2
InChIKeyIRAKYJHVDVCTEG-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.35
Rot. Bonds4

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

[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 75463056) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID75463056
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(Cc2noc(-c3ccoc3)n2)CC1
InChIInChI=1S/C16H16N4O3S/c21-16(13-2-8-24-11-13)20-5-3-19(4-6-20)9-14-17-15(23-18-14)12-1-7-22-10-12/h1-2,7-8,10-11H,3-6,9H2
InChIKeyIRAKYJHVDVCTEG-UHFFFAOYSA-N
XLogP2.35
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 56816308
(3-fluorophenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 42879634
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 42692089
(4-ethylphenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 42879635
[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 42691953
(4-methylphenyl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 146061253
N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054184
1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62654121
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
furan-2-yl-[4-[(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 42692042
[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 42691954

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 75463056) is [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(Cc2noc(-c3ccoc3)n2)CC1.
What is the InChIKey of [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is IRAKYJHVDVCTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-16(13-2-8-24-11-13)20-5-3-19(4-6-20)9-14-17-15(23-18-14)12-1-7-22-10-12/h1-2,7-8,10-11H,3-6,9H2.
What are the key properties of [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 344.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 75463056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).