N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide

C15H15ClN2O4S — CID 22620945

IUPACN-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(Cl)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H15ClN2O4S/c1-18(23(2,20)21)13-7-10(16)5-6-11(13)14(19)12-8-17-22-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyNWICHLJKUBXFTK-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.83
Rot. Bonds5

About N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide

N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 22620945) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
PubChem CID22620945
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(Cl)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H15ClN2O4S/c1-18(23(2,20)21)13-7-10(16)5-6-11(13)14(19)12-8-17-22-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyNWICHLJKUBXFTK-UHFFFAOYSA-N
XLogP2.83
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide (CID 22620945) is N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide is CN(c1cc(Cl)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is NWICHLJKUBXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-18(23(2,20)21)13-7-10(16)5-6-11(13)14(19)12-8-17-22-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 354.82 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 22620945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).