3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

C18H18N2O3S2 — CID 20936295

IUPAC3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC(c4ccccc4)C3)s2)on1
InChIInChI=1S/C18H18N2O3S2/c1-13-11-16(23-19-13)17-7-8-18(24-17)25(21,22)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyUZBHRCSRYYYQMM-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.89
Rot. Bonds4

About 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (PubChem CID 20936295) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
PubChem CID20936295
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCC(c4ccccc4)C3)s2)on1
InChIInChI=1S/C18H18N2O3S2/c1-13-11-16(23-19-13)17-7-8-18(24-17)25(21,22)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyUZBHRCSRYYYQMM-UHFFFAOYSA-N
XLogP3.89
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (CID 20936295) is 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is Cc1cc(-c2ccc(S(=O)(=O)N3CCC(c4ccccc4)C3)s2)on1.
What is the InChIKey of 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The InChIKey is UZBHRCSRYYYQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-13-11-16(23-19-13)17-7-8-18(24-17)25(21,22)20-10-9-15(12-20)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole has a molecular weight of 374.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 20936295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).