2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide

C17H23N3O5S — CID 53118686

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C17H23N3O5S/c1-12-17(13(2)25-19-12)26(22,23)20-7-5-14(6-8-20)10-16(21)18-11-15-4-3-9-24-15/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyOVZMIFYVLSDNPF-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.99
Rot. Bonds6

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 53118686) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID53118686
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C17H23N3O5S/c1-12-17(13(2)25-19-12)26(22,23)20-7-5-14(6-8-20)10-16(21)18-11-15-4-3-9-24-15/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyOVZMIFYVLSDNPF-UHFFFAOYSA-N
XLogP1.99
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 53118686) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide is Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCc2ccco2)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OVZMIFYVLSDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-12-17(13(2)25-19-12)26(22,23)20-7-5-14(6-8-20)10-16(21)18-11-15-4-3-9-24-15/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 381.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53118686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).