N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide

C16H20N2O4S — CID 99717760

IUPACN-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1-c1ncco1
InChIInChI=1S/C16H20N2O4S/c1-12-5-6-13(10-15(12)16-17-7-9-22-16)18-23(19,20)11-14-4-2-3-8-21-14/h5-7,9-10,14,18H,2-4,8,11H2,1H3/t14-/m1/s1
InChIKeyMYYRYKBSHIQYOW-CQSZACIVSA-N
MW336.41 g/mol
LogP2.96
Rot. Bonds5

About N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide

N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide (PubChem CID 99717760) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
PubChem CID99717760
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1-c1ncco1
InChIInChI=1S/C16H20N2O4S/c1-12-5-6-13(10-15(12)16-17-7-9-22-16)18-23(19,20)11-14-4-2-3-8-21-14/h5-7,9-10,14,18H,2-4,8,11H2,1H3/t14-/m1/s1
InChIKeyMYYRYKBSHIQYOW-CQSZACIVSA-N
XLogP2.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
The IUPAC name of N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide (CID 99717760) is N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide is Cc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1-c1ncco1.
What is the InChIKey of N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
The InChIKey is MYYRYKBSHIQYOW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-5-6-13(10-15(12)16-17-7-9-22-16)18-23(19,20)11-14-4-2-3-8-21-14/h5-7,9-10,14,18H,2-4,8,11H2,1H3/t14-/m1/s1.
What are the key properties of N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide?
N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-1-[(2R)-oxan-2-yl]methanesulfonamide is sourced from PubChem (CID 99717760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).