3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole

C16H15N3O3S2 — CID 53075191

IUPAC3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2noc(-c3cccs3)n2)cc1)N1CCCC1
InChIInChI=1S/C16H15N3O3S2/c20-24(21,19-9-1-2-10-19)13-7-5-12(6-8-13)15-17-16(22-18-15)14-4-3-11-23-14/h3-8,11H,1-2,9-10H2
InChIKeyRVHICEIEQCASNQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.25
Rot. Bonds4

About 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53075191) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53075191
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2noc(-c3cccs3)n2)cc1)N1CCCC1
InChIInChI=1S/C16H15N3O3S2/c20-24(21,19-9-1-2-10-19)13-7-5-12(6-8-13)15-17-16(22-18-15)14-4-3-11-23-14/h3-8,11H,1-2,9-10H2
InChIKeyRVHICEIEQCASNQ-UHFFFAOYSA-N
XLogP3.25
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
CID 71843486
3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53075259
5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
[(3R)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 1457013
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 655180
1-[(3R)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 1457006
N-(4-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049827
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53031173
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-sulfonamide
CID 128953261
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16870213
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53075191) is 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(-c2noc(-c3cccs3)n2)cc1)N1CCCC1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is RVHICEIEQCASNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c20-24(21,19-9-1-2-10-19)13-7-5-12(6-8-13)15-17-16(22-18-15)14-4-3-11-23-14/h3-8,11H,1-2,9-10H2.
What are the key properties of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 361.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53075191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).