N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide

C16H24N2O3S — CID 44631446

IUPACN-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H]1COC(C(C)CCN(C)S(=O)(=O)c2ccccc2)=N1
InChIInChI=1S/C16H24N2O3S/c1-4-14-12-21-16(17-14)13(2)10-11-18(3)22(19,20)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3/t13?,14-/m1/s1
InChIKeyXKNYJWRPOFIQFG-ARLHGKGLSA-N
MW324.45 g/mol
LogP2.54
Rot. Bonds7

About N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide

N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide (PubChem CID 44631446) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide
PubChem CID44631446
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H]1COC(C(C)CCN(C)S(=O)(=O)c2ccccc2)=N1
InChIInChI=1S/C16H24N2O3S/c1-4-14-12-21-16(17-14)13(2)10-11-18(3)22(19,20)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3/t13?,14-/m1/s1
InChIKeyXKNYJWRPOFIQFG-ARLHGKGLSA-N
XLogP2.54
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide (CID 44631446) is N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide is CC[C@@H]1COC(C(C)CCN(C)S(=O)(=O)c2ccccc2)=N1.
What is the InChIKey of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide?
The InChIKey is XKNYJWRPOFIQFG-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-14-12-21-16(17-14)13(2)10-11-18(3)22(19,20)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide?
N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 44631446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).