3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole

C14H18N2O4S — CID 95073599

IUPAC3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)o2)on1
InChIInChI=1S/C14H18N2O4S/c1-10-9-13(20-15-10)12-6-7-14(19-12)21(17,18)16-8-4-3-5-11(16)2/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m0/s1
InChIKeyOWNLXUWJRJKSTL-NSHDSACASA-N
MW310.38 g/mol
LogP2.81
Rot. Bonds3

About 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole

3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole (PubChem CID 95073599) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole
PubChem CID95073599
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)o2)on1
InChIInChI=1S/C14H18N2O4S/c1-10-9-13(20-15-10)12-6-7-14(19-12)21(17,18)16-8-4-3-5-11(16)2/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m0/s1
InChIKeyOWNLXUWJRJKSTL-NSHDSACASA-N
XLogP2.81
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 53079270
3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole
CID 53085838
7-chloro-4-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 131915054
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
5-(3,4-dimethylphenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043262
(3aS,6aS)-2-methyl-5-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72915248
N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073598
N-[(2R)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073597
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
(5-methyl-1,2-oxazol-3-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 9061168
5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 42279430

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole (CID 95073599) is 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole is Cc1cc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)o2)on1.
What is the InChIKey of 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole?
The InChIKey is OWNLXUWJRJKSTL-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-9-13(20-15-10)12-6-7-14(19-12)21(17,18)16-8-4-3-5-11(16)2/h6-7,9,11H,3-5,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole?
3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole has a molecular weight of 310.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole is sourced from PubChem (CID 95073599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).