(4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C22H20N4O2S — CID 71792990

IUPAC(4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C22H20N4O2S/c27-22(17-3-5-19(6-4-17)25-10-1-2-11-25)26-12-7-16(8-13-26)20-23-24-21(28-20)18-9-14-29-15-18/h1-6,9-11,14-16H,7-8,12-13H2
InChIKeyYLJOJINYKIMUQD-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.61
Rot. Bonds4

About (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 71792990) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID71792990
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name(4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C22H20N4O2S/c27-22(17-3-5-19(6-4-17)25-10-1-2-11-25)26-12-7-16(8-13-26)20-23-24-21(28-20)18-9-14-29-15-18/h1-6,9-11,14-16H,7-8,12-13H2
InChIKeyYLJOJINYKIMUQD-UHFFFAOYSA-N
XLogP4.61
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 71792990) is (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is YLJOJINYKIMUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-22(17-3-5-19(6-4-17)25-10-1-2-11-25)26-12-7-16(8-13-26)20-23-24-21(28-20)18-9-14-29-15-18/h1-6,9-11,14-16H,7-8,12-13H2.
What are the key properties of (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 404.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrol-1-ylphenyl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71792990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).