N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide

C18H21FN4O4S — CID 156799462

IUPACN-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide
SMILESCCc1cccc(N(Cc2cc(-c3nnc(C(C)F)o3)no2)S(=O)(=O)CC)c1
InChIInChI=1S/C18H21FN4O4S/c1-4-13-7-6-8-14(9-13)23(28(24,25)5-2)11-15-10-16(22-27-15)18-21-20-17(26-18)12(3)19/h6-10,12H,4-5,11H2,1-3H3
InChIKeySCZDYGVMJKHQEN-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.67
Rot. Bonds8

About N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide

N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide (PubChem CID 156799462) has the molecular formula C18H21FN4O4S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide
PubChem CID156799462
Molecular FormulaC18H21FN4O4S
Molecular Weight408.46 g/mol
Exact Mass408.13
IUPAC NameN-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide
SMILESCCc1cccc(N(Cc2cc(-c3nnc(C(C)F)o3)no2)S(=O)(=O)CC)c1
InChIInChI=1S/C18H21FN4O4S/c1-4-13-7-6-8-14(9-13)23(28(24,25)5-2)11-15-10-16(22-27-15)18-21-20-17(26-18)12(3)19/h6-10,12H,4-5,11H2,1-3H3
InChIKeySCZDYGVMJKHQEN-UHFFFAOYSA-N
XLogP3.67
TPSA102.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide?
The IUPAC name of N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide (CID 156799462) is N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide is CCc1cccc(N(Cc2cc(-c3nnc(C(C)F)o3)no2)S(=O)(=O)CC)c1.
What is the InChIKey of N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide?
The InChIKey is SCZDYGVMJKHQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4S/c1-4-13-7-6-8-14(9-13)23(28(24,25)5-2)11-15-10-16(22-27-15)18-21-20-17(26-18)12(3)19/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide?
N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide has a molecular weight of 408.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 156799462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).