N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

C14H20N2O3S — CID 11340796

IUPACN-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCc1cccc(C2=N[C@H](C(C)C)CO2)c1NS(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18/h5-7,9,12,16H,8H2,1-4H3/t12-/m0/s1
InChIKeyKCLDECJIUSCXOX-LBPRGKRZSA-N
MW296.39 g/mol
LogP2.17
Rot. Bonds4

About N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide (PubChem CID 11340796) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
PubChem CID11340796
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCc1cccc(C2=N[C@H](C(C)C)CO2)c1NS(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18/h5-7,9,12,16H,8H2,1-4H3/t12-/m0/s1
InChIKeyKCLDECJIUSCXOX-LBPRGKRZSA-N
XLogP2.17
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide (CID 11340796) is N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide is Cc1cccc(C2=N[C@H](C(C)C)CO2)c1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is KCLDECJIUSCXOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(2)12-8-19-14(15-12)11-7-5-6-10(3)13(11)16-20(4,17)18/h5-7,9,12,16H,8H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 11340796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).