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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Related Compounds

3-methyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936224
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CID 135089894
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
CID 87522048
5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 56891247
(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine
CID 155916573
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129416819
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
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4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
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1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
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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).