3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C15H17ClN2O5S — CID 134005117

IUPAC3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)CCC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H17ClN2O5S/c1-10-7-14(18-23-10)17-15(19)5-6-24(20,21)9-11-8-12(16)3-4-13(11)22-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,18,19)
InChIKeyQCHJNBXQXALPNT-UHFFFAOYSA-N
MW372.83 g/mol
LogP2.59
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 134005117) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID134005117
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)CCC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H17ClN2O5S/c1-10-7-14(18-23-10)17-15(19)5-6-24(20,21)9-11-8-12(16)3-4-13(11)22-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,18,19)
InChIKeyQCHJNBXQXALPNT-UHFFFAOYSA-N
XLogP2.59
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 47035216
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113155086
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617258
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914
5-chloro-2-methoxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 51267404
2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767842
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol
CID 60563014
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
2-(2,4-dimethoxy-3-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110769878

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 134005117) is 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(Cl)cc1CS(=O)(=O)CCC(=O)Nc1cc(C)on1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is QCHJNBXQXALPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c1-10-7-14(18-23-10)17-15(19)5-6-24(20,21)9-11-8-12(16)3-4-13(11)22-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 372.83 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 134005117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).