5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C15H16ClN5OS — CID 137154562

IUPAC5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2c[nH]cc2-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H16ClN5OS/c1-21-5-4-17-8-11(21)14-19-15(22-20-14)10-7-18-6-9(10)12-2-3-13(16)23-12/h2-3,6-7,11,17-18H,4-5,8H2,1H3
InChIKeyOYULAZGNCNWNPZ-UHFFFAOYSA-N
MW349.85 g/mol
LogP3.02
Rot. Bonds3

About 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 137154562) has the molecular formula C15H16ClN5OS and a molecular weight of 349.85 g/mol. Its IUPAC name is 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID137154562
Molecular FormulaC15H16ClN5OS
Molecular Weight349.85 g/mol
Exact Mass349.08
IUPAC Name5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2c[nH]cc2-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H16ClN5OS/c1-21-5-4-17-8-11(21)14-19-15(22-20-14)10-7-18-6-9(10)12-2-3-13(16)23-12/h2-3,6-7,11,17-18H,4-5,8H2,1H3
InChIKeyOYULAZGNCNWNPZ-UHFFFAOYSA-N
XLogP3.02
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.85
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 137154562) is 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(-c2c[nH]cc2-c2ccc(Cl)s2)n1.
What is the InChIKey of 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is OYULAZGNCNWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5OS/c1-21-5-4-17-8-11(21)14-19-15(22-20-14)10-7-18-6-9(10)12-2-3-13(16)23-12/h2-3,6-7,11,17-18H,4-5,8H2,1H3.
What are the key properties of 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 349.85 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 137154562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).