N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide

C13H17N3O3S — CID 71865325

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCC(C)(C)c1cnc(CNS(=O)(=O)c2cccnc2)o1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)11-8-15-12(19-11)9-16-20(17,18)10-5-4-6-14-7-10/h4-8,16H,9H2,1-3H3
InChIKeyKLZOMQRIUHYGEC-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds4

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 71865325) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID71865325
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCC(C)(C)c1cnc(CNS(=O)(=O)c2cccnc2)o1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)11-8-15-12(19-11)9-16-20(17,18)10-5-4-6-14-7-10/h4-8,16H,9H2,1-3H3
InChIKeyKLZOMQRIUHYGEC-UHFFFAOYSA-N
XLogP1.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
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-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide (CID 71865325) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide is CC(C)(C)c1cnc(CNS(=O)(=O)c2cccnc2)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is KLZOMQRIUHYGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(2,3)11-8-15-12(19-11)9-16-20(17,18)10-5-4-6-14-7-10/h4-8,16H,9H2,1-3H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 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-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71865325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).