N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

C16H19ClN2O4S — CID 162234705

IUPACN-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2cc(Cl)ccc2S(=O)(=O)CC)o1
InChIInChI=1S/C16H19ClN2O4S/c1-4-14-19-10(3)15(23-14)16(20)18-9-11-8-12(17)6-7-13(11)24(21,22)5-2/h6-8H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyZVXFQWUPPJGGNU-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.92
Rot. Bonds6

About N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 162234705) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID162234705
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC NameN-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2cc(Cl)ccc2S(=O)(=O)CC)o1
InChIInChI=1S/C16H19ClN2O4S/c1-4-14-19-10(3)15(23-14)16(20)18-9-11-8-12(17)6-7-13(11)24(21,22)5-2/h6-8H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyZVXFQWUPPJGGNU-UHFFFAOYSA-N
XLogP2.92
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (CID 162234705) is N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCc2cc(Cl)ccc2S(=O)(=O)CC)o1.
What is the InChIKey of N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ZVXFQWUPPJGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-4-14-19-10(3)15(23-14)16(20)18-9-11-8-12(17)6-7-13(11)24(21,22)5-2/h6-8H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 162234705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).