4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide

C15H18N2O4S — CID 70783626

IUPAC4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESCc1cccc(-c2nc(CN3CCOCS3(=O)=O)c(C)o2)c1
InChIInChI=1S/C15H18N2O4S/c1-11-4-3-5-13(8-11)15-16-14(12(2)21-15)9-17-6-7-20-10-22(17,18)19/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyYSLSVFMQMCZKKR-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.08
Rot. Bonds3

About 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide

4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 70783626) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID70783626
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESCc1cccc(-c2nc(CN3CCOCS3(=O)=O)c(C)o2)c1
InChIInChI=1S/C15H18N2O4S/c1-11-4-3-5-13(8-11)15-16-14(12(2)21-15)9-17-6-7-20-10-22(17,18)19/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyYSLSVFMQMCZKKR-UHFFFAOYSA-N
XLogP2.08
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425209
(3S,8aS)-3-methyl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165424792
(3aR,7aR)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811552
5-methyl-4-[[1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-1-yl]methyl]-2-(3-methylphenyl)-1,3-oxazole chloride
CID 146061434
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-1-pyrrolidin-1-ylethanone
CID 20860407
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 110612077

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide (CID 70783626) is 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide is Cc1cccc(-c2nc(CN3CCOCS3(=O)=O)c(C)o2)c1.
What is the InChIKey of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is YSLSVFMQMCZKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-4-3-5-13(8-11)15-16-14(12(2)21-15)9-17-6-7-20-10-22(17,18)19/h3-5,8H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide?
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 322.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 70783626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).