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

C16H19N3O4S — CID 77088289

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H19N3O4S/c1-12-15(17-11-23-12)16(20)18-13-7-9-19(10-8-13)24(21,22)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3,(H,18,20)
InChIKeyXXXLPGGZUMFZBP-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.57
Rot. Bonds4

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

N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 77088289) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID77088289
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H19N3O4S/c1-12-15(17-11-23-12)16(20)18-13-7-9-19(10-8-13)24(21,22)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3,(H,18,20)
InChIKeyXXXLPGGZUMFZBP-UHFFFAOYSA-N
XLogP1.57
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide (CID 77088289) is N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is XXXLPGGZUMFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-15(17-11-23-12)16(20)18-13-7-9-19(10-8-13)24(21,22)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3,(H,18,20).
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 77088289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).