3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

C15H15ClN2O4S — CID 2911742

IUPAC3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H15ClN2O4S/c1-9-13(15(19)17-10-6-7-23(20,21)8-10)14(18-22-9)11-4-2-3-5-12(11)16/h2-5,10H,6-8H2,1H3,(H,17,19)
InChIKeyVPUUBVPHCIARHD-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.22
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2911742) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2911742
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H15ClN2O4S/c1-9-13(15(19)17-10-6-7-23(20,21)8-10)14(18-22-9)11-4-2-3-5-12(11)16/h2-5,10H,6-8H2,1H3,(H,17,19)
InChIKeyVPUUBVPHCIARHD-UHFFFAOYSA-N
XLogP2.22
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2911742) is 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VPUUBVPHCIARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-9-13(15(19)17-10-6-7-23(20,21)8-10)14(18-22-9)11-4-2-3-5-12(11)16/h2-5,10H,6-8H2,1H3,(H,17,19).
What are the key properties of 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2911742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).