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

C18H28N2O3S — CID 44631351

IUPACN-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H]1COC(C(C)CCCCN(C)S(=O)(=O)c2ccccc2)=N1
InChIInChI=1S/C18H28N2O3S/c1-4-16-14-23-18(19-16)15(2)10-8-9-13-20(3)24(21,22)17-11-6-5-7-12-17/h5-7,11-12,15-16H,4,8-10,13-14H2,1-3H3/t15?,16-/m1/s1
InChIKeyOETDVPUQZYGHRA-OEMAIJDKSA-N
MW352.50 g/mol
LogP3.32
Rot. Bonds9

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

N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide (PubChem CID 44631351) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide
PubChem CID44631351
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H]1COC(C(C)CCCCN(C)S(=O)(=O)c2ccccc2)=N1
InChIInChI=1S/C18H28N2O3S/c1-4-16-14-23-18(19-16)15(2)10-8-9-13-20(3)24(21,22)17-11-6-5-7-12-17/h5-7,11-12,15-16H,4,8-10,13-14H2,1-3H3/t15?,16-/m1/s1
InChIKeyOETDVPUQZYGHRA-OEMAIJDKSA-N
XLogP3.32
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide (CID 44631351) is N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide is CC[C@@H]1COC(C(C)CCCCN(C)S(=O)(=O)c2ccccc2)=N1.
What is the InChIKey of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide?
The InChIKey is OETDVPUQZYGHRA-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-16-14-23-18(19-16)15(2)10-8-9-13-20(3)24(21,22)17-11-6-5-7-12-17/h5-7,11-12,15-16H,4,8-10,13-14H2,1-3H3/t15?,16-/m1/s1.
What are the key properties of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide?
N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hexyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 44631351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).