5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C14H16N2O3S — CID 86265131

IUPAC5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1C
InChIInChI=1S/C14H16N2O3S/c1-10-3-4-13(7-11(10)2)20(17,18)16-6-5-14-12(9-16)8-15-19-14/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyPCSAWNLDUUBSJO-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.04
Rot. Bonds2

About 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 86265131) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID86265131
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1C
InChIInChI=1S/C14H16N2O3S/c1-10-3-4-13(7-11(10)2)20(17,18)16-6-5-14-12(9-16)8-15-19-14/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyPCSAWNLDUUBSJO-UHFFFAOYSA-N
XLogP2.04
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine 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

2-tert-butyl-5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 170507987
5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 86265135
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083123
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 50787288
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
2-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 39616919
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
1-tert-butyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074853
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 86265131) is 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is PCSAWNLDUUBSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-3-4-13(7-11(10)2)20(17,18)16-6-5-14-12(9-16)8-15-19-14/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 292.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 86265131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).