N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C19H24FN3O4S — CID 2994459

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)no1
InChIInChI=1S/C19H24FN3O4S/c1-19(2,3)16-12-17(22-27-16)21-18(24)13-7-8-14(20)15(11-13)28(25,26)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22,24)
InChIKeyCGHUTTPUAUNLME-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.54
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2994459) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2994459
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)no1
InChIInChI=1S/C19H24FN3O4S/c1-19(2,3)16-12-17(22-27-16)21-18(24)13-7-8-14(20)15(11-13)28(25,26)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22,24)
InChIKeyCGHUTTPUAUNLME-UHFFFAOYSA-N
XLogP3.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 2994459) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CGHUTTPUAUNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-19(2,3)16-12-17(22-27-16)21-18(24)13-7-8-14(20)15(11-13)28(25,26)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22,24).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 409.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2994459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).