5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole

C18H26N4O4S — CID 47038783

IUPAC5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CC2)no1
InChIInChI=1S/C18H26N4O4S/c1-15-12-16(19-26-15)13-20-8-10-21(11-9-20)14-17-4-5-18(25-17)27(23,24)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13-14H2,1H3
InChIKeyBGFMPGYGDUZSLQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.68
Rot. Bonds6

About 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 47038783) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID47038783
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CC2)no1
InChIInChI=1S/C18H26N4O4S/c1-15-12-16(19-26-15)13-20-8-10-21(11-9-20)14-17-4-5-18(25-17)27(23,24)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13-14H2,1H3
InChIKeyBGFMPGYGDUZSLQ-UHFFFAOYSA-N
XLogP1.68
TPSA83.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole (CID 47038783) is 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is BGFMPGYGDUZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-15-12-16(19-26-15)13-20-8-10-21(11-9-20)14-17-4-5-18(25-17)27(23,24)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13-14H2,1H3.
What are the key properties of 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 394.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 47038783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).