4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

C13H11N3O2S — CID 1477401

IUPAC4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccc(Sc2ncnc3onc(C)c23)cc1
InChIInChI=1S/C13H11N3O2S/c1-8-11-12(18-16-8)14-7-15-13(11)19-10-5-3-9(17-2)4-6-10/h3-7H,1-2H3
InChIKeyCSRIUAUDBDRSKC-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.09
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 1477401) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID1477401
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccc(Sc2ncnc3onc(C)c23)cc1
InChIInChI=1S/C13H11N3O2S/c1-8-11-12(18-16-8)14-7-15-13(11)19-10-5-3-9(17-2)4-6-10/h3-7H,1-2H3
InChIKeyCSRIUAUDBDRSKC-UHFFFAOYSA-N
XLogP3.09
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine 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-[(2,4-Dimethylphenyl)sulfanyl]-3-methylisoxazolo[5,4-d]pyrimidine
CID 1477403
3-Methyl-4-[(4-methylbenzyl)thio]isoxazolo[5,4-d]pyrimidine
CID 2745825
3-Methyl-4-{[4-(trifluoromethyl)benzyl]thio}isoxazolo[5,4-d]pyrimidine
CID 2745826
3-Methyl-4-[(4-methylphenyl)sulfanyl]isoxazolo[5,4-d]pyrimidine
CID 1477398
4-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
CID 1477400
Methyl 2-[(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]benzenecarboxylate
CID 3751414
4-(4-Fluorophenoxy)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 5170391
3-Methyl-4-phenoxy-[1,2]oxazolo[5,4-d]pyrimidine
CID 3790182
2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
CID 3809580
4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
CID 4422588
3-Methyl-4-[(2-methylphenyl)sulfanyl]isoxazolo[5,4-d]pyrimidine
CID 4594204
4-(((5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 1287925

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 1477401) is 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is COc1ccc(Sc2ncnc3onc(C)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is CSRIUAUDBDRSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-11-12(18-16-8)14-7-15-13(11)19-10-5-3-9(17-2)4-6-10/h3-7H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 273.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1477401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).