2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C18H23N3O4S — CID 71837542

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C18H23N3O4S/c1-13-16(18(22)20(2)3)19-17(25-13)14-9-11-21(12-10-14)26(23,24)15-7-5-4-6-8-15/h4-8,14H,9-12H2,1-3H3
InChIKeyFTPFIIQSLGMFNE-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.25
Rot. Bonds4

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71837542) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71837542
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C18H23N3O4S/c1-13-16(18(22)20(2)3)19-17(25-13)14-9-11-21(12-10-14)26(23,24)15-7-5-4-6-8-15/h4-8,14H,9-12H2,1-3H3
InChIKeyFTPFIIQSLGMFNE-UHFFFAOYSA-N
XLogP2.25
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71837542) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc1C(=O)N(C)C.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is FTPFIIQSLGMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-16(18(22)20(2)3)19-17(25-13)14-9-11-21(12-10-14)26(23,24)15-7-5-4-6-8-15/h4-8,14H,9-12H2,1-3H3.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).