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

C18H25N3O5S — CID 53118738

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(C)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C18H25N3O5S/c1-12(18(22)19-11-16-5-4-10-25-16)15-6-8-21(9-7-15)27(23,24)17-13(2)20-26-14(17)3/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyDIHZOYYLGVWLRU-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.24
Rot. Bonds6

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

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 53118738) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID53118738
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(C)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C18H25N3O5S/c1-12(18(22)19-11-16-5-4-10-25-16)15-6-8-21(9-7-15)27(23,24)17-13(2)20-26-14(17)3/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyDIHZOYYLGVWLRU-UHFFFAOYSA-N
XLogP2.24
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.24
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)propanamide?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 53118738) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(C)C(=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)propanamide?
The InChIKey is DIHZOYYLGVWLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-12(18(22)19-11-16-5-4-10-25-16)15-6-8-21(9-7-15)27(23,24)17-13(2)20-26-14(17)3/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 395.48 g/mol, XLogP of 2.24, 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)propanamide is sourced from PubChem (CID 53118738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).