5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

C15H13N3O3S2 — CID 56891247

IUPAC5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CC(c2ccncc2)C1
InChIInChI=1S/C15H13N3O3S2/c19-23(20,15-2-1-14(22-15)13-5-8-17-21-13)18-9-12(10-18)11-3-6-16-7-4-11/h1-8,12H,9-10H2
InChIKeyRGSAKWVVETXUOW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.59
Rot. Bonds4

About 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (PubChem CID 56891247) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
PubChem CID56891247
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CC(c2ccncc2)C1
InChIInChI=1S/C15H13N3O3S2/c19-23(20,15-2-1-14(22-15)13-5-8-17-21-13)18-9-12(10-18)11-3-6-16-7-4-11/h1-8,12H,9-10H2
InChIKeyRGSAKWVVETXUOW-UHFFFAOYSA-N
XLogP2.59
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine
CID 155916573
N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide
CID 89238361
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295
5-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2-oxazole
CID 53112003
5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
CID 39730338
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 67970688
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 91778732
N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
5-(5-methylthiophen-2-yl)-1,2-oxazole
CID 45099284
N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111983
5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 45106725

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The IUPAC name of 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (CID 56891247) is 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is O=S(=O)(c1ccc(-c2ccno2)s1)N1CC(c2ccncc2)C1.
What is the InChIKey of 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The InChIKey is RGSAKWVVETXUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c19-23(20,15-2-1-14(22-15)13-5-8-17-21-13)18-9-12(10-18)11-3-6-16-7-4-11/h1-8,12H,9-10H2.
What are the key properties of 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole has a molecular weight of 347.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 56891247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).