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

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Related Compounds

2-amino-3,5-dibromo-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-4-methylbenzamide
CID 118042864
2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide
CID 56875403
2-ethyl-4-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 122563446
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 134548597
N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 50971382
2-ethyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 137251216
4-[[(3R)-3-(acetamidomethyl)pyrrolidin-1-yl]methyl]-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-3-fluorobenzamide
CID 130177481
tert-butyl 5-[[2-chloro-4-[(5-chloro-2-ethylsulfonylphenyl)methylcarbamoyl]-6-fluorophenyl]methyl]-1,2,5-oxadiazepane-2-carboxylate
CID 130177515
4-[[(3S)-3-aminopiperidin-1-yl]methyl]-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-3-fluorobenzamide
CID 130177502
3,5-dibromo-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-4-[2-[4-(oxan-4-yl)piperazin-1-yl]ethyl]benzamide
CID 163848752
2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide
CID 86700839
2-ethyl-4-methyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-oxazole-5-carboxamide
CID 164636733

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).