1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide

C18H21N3O6S — CID 46943963

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H21N3O6S/c1-11-15(12(2)27-19-11)16(22)21-10-9-18(21,3)17(23)20-28(24,25)14-7-5-13(26-4)6-8-14/h5-8H,9-10H2,1-4H3,(H,20,23)
InChIKeyMTIUKEJXUZWDOR-UHFFFAOYSA-N
MW407.45 g/mol
LogP1.41
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide (PubChem CID 46943963) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide
PubChem CID46943963
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H21N3O6S/c1-11-15(12(2)27-19-11)16(22)21-10-9-18(21,3)17(23)20-28(24,25)14-7-5-13(26-4)6-8-14/h5-8H,9-10H2,1-4H3,(H,20,23)
InChIKeyMTIUKEJXUZWDOR-UHFFFAOYSA-N
XLogP1.41
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-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 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide (CID 46943963) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide is COc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide?
The InChIKey is MTIUKEJXUZWDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-11-15(12(2)27-19-11)16(22)21-10-9-18(21,3)17(23)20-28(24,25)14-7-5-13(26-4)6-8-14/h5-8H,9-10H2,1-4H3,(H,20,23).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)sulfonyl-2-methylazetidine-2-carboxamide is sourced from PubChem (CID 46943963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).