N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

C15H19FN2O3S — CID 71982162

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ncc(C(C)(C)C)o2)ccc1F
InChIInChI=1S/C15H19FN2O3S/c1-10-7-11(5-6-12(10)16)22(19,20)18-9-14-17-8-13(21-14)15(2,3)4/h5-8,18H,9H2,1-4H3
InChIKeyYSTJTAKQLXKLEH-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.90
Rot. Bonds4

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 71982162) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID71982162
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ncc(C(C)(C)C)o2)ccc1F
InChIInChI=1S/C15H19FN2O3S/c1-10-7-11(5-6-12(10)16)22(19,20)18-9-14-17-8-13(21-14)15(2,3)4/h5-8,18H,9H2,1-4H3
InChIKeyYSTJTAKQLXKLEH-UHFFFAOYSA-N
XLogP2.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (CID 71982162) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ncc(C(C)(C)C)o2)ccc1F.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is YSTJTAKQLXKLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-10-7-11(5-6-12(10)16)22(19,20)18-9-14-17-8-13(21-14)15(2,3)4/h5-8,18H,9H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 326.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 71982162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).