N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide

C16H16ClFN2O4S — CID 22621107

IUPACN-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O4S/c1-3-20(25(2,22)23)14-10(6-7-12(17)13(14)18)15(21)11-8-19-24-16(11)9-4-5-9/h6-9H,3-5H2,1-2H3
InChIKeyCYHLDIGZBMAFLB-UHFFFAOYSA-N
MW386.83 g/mol
LogP3.36
Rot. Bonds6

About N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide

N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide (PubChem CID 22621107) has the molecular formula C16H16ClFN2O4S and a molecular weight of 386.83 g/mol. Its IUPAC name is N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide
PubChem CID22621107
Molecular FormulaC16H16ClFN2O4S
Molecular Weight386.83 g/mol
Exact Mass386.05
IUPAC NameN-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O4S/c1-3-20(25(2,22)23)14-10(6-7-12(17)13(14)18)15(21)11-8-19-24-16(11)9-4-5-9/h6-9H,3-5H2,1-2H3
InChIKeyCYHLDIGZBMAFLB-UHFFFAOYSA-N
XLogP3.36
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide (CID 22621107) is N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide is CCN(c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F)S(C)(=O)=O.
What is the InChIKey of N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide?
The InChIKey is CYHLDIGZBMAFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S/c1-3-20(25(2,22)23)14-10(6-7-12(17)13(14)18)15(21)11-8-19-24-16(11)9-4-5-9/h6-9H,3-5H2,1-2H3.
What are the key properties of N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide?
N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide has a molecular weight of 386.83 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 22621107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).