N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide

C16H17FN2O4S — CID 22621037

IUPACN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1cc(F)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C16H17FN2O4S/c1-3-19(24(2,21)22)14-8-11(17)6-7-12(14)15(20)13-9-18-23-16(13)10-4-5-10/h6-10H,3-5H2,1-2H3
InChIKeyCCQGQQSHCIJTKP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide

N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide (PubChem CID 22621037) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide
PubChem CID22621037
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1cc(F)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C16H17FN2O4S/c1-3-19(24(2,21)22)14-8-11(17)6-7-12(14)15(20)13-9-18-23-16(13)10-4-5-10/h6-10H,3-5H2,1-2H3
InChIKeyCCQGQQSHCIJTKP-UHFFFAOYSA-N
XLogP2.71
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide (CID 22621037) is N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide is CCN(c1cc(F)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide?
The InChIKey is CCQGQQSHCIJTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-3-19(24(2,21)22)14-8-11(17)6-7-12(14)15(20)13-9-18-23-16(13)10-4-5-10/h6-10H,3-5H2,1-2H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide?
N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide has a molecular weight of 352.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 22621037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).