N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide

C15H14Cl2N2O4S — CID 18350437

IUPACN-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C15H14Cl2N2O4S/c1-19(24(2,21)22)13-9(5-6-11(16)12(13)17)14(20)10-7-18-23-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyQDEUPUJWAJAQRB-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.49
Rot. Bonds5

About N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide

N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 18350437) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
PubChem CID18350437
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC NameN-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C15H14Cl2N2O4S/c1-19(24(2,21)22)13-9(5-6-11(16)12(13)17)14(20)10-7-18-23-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyQDEUPUJWAJAQRB-UHFFFAOYSA-N
XLogP3.49
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide (CID 18350437) is N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide is CN(c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is QDEUPUJWAJAQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-19(24(2,21)22)13-9(5-6-11(16)12(13)17)14(20)10-7-18-23-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide?
N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 389.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 18350437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).