furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone

C22H18N4O4S — CID 46388410

IUPACfuran-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1
InChIInChI=1S/C22H18N4O4S/c27-21(16-7-4-14-29-16)25-10-12-26(13-11-25)22(28)18-9-8-17(31-18)19-23-20(30-24-19)15-5-2-1-3-6-15/h1-9,14H,10-13H2
InChIKeyWBBKBXVOIFTKGE-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.66
Rot. Bonds4

About furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 46388410) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone
PubChem CID46388410
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Namefuran-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1
InChIInChI=1S/C22H18N4O4S/c27-21(16-7-4-14-29-16)25-10-12-26(13-11-25)22(28)18-9-8-17(31-18)19-23-20(30-24-19)15-5-2-1-3-6-15/h1-9,14H,10-13H2
InChIKeyWBBKBXVOIFTKGE-UHFFFAOYSA-N
XLogP3.66
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone
CID 53119621
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 46288581
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42692102
[4-(furan-2-carbonyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9450440
N-[3-(4-ethylpiperazin-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119639
furan-2-yl-[4-[(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 42692042
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626
furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
CID 46397260
furan-2-yl-[4-[6-(furan-2-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 19615775

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone (CID 46388410) is furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1.
What is the InChIKey of furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is WBBKBXVOIFTKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c27-21(16-7-4-14-29-16)25-10-12-26(13-11-25)22(28)18-9-8-17(31-18)19-23-20(30-24-19)15-5-2-1-3-6-15/h1-9,14H,10-13H2.
What are the key properties of furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 434.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46388410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).