7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine

C15H14ClN3O2S — CID 71743137

IUPAC7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCOc1c(C)cc(-c2nc3c(Cl)nc(SC)nc3o2)cc1C
InChIInChI=1S/C15H14ClN3O2S/c1-7-5-9(6-8(2)11(7)20-3)13-17-10-12(16)18-15(22-4)19-14(10)21-13/h5-6H,1-4H3
InChIKeyUUFOMEFUIDPTBQ-UHFFFAOYSA-N
MW335.82 g/mol
LogP4.29
Rot. Bonds3

About 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine

7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 71743137) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID71743137
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCOc1c(C)cc(-c2nc3c(Cl)nc(SC)nc3o2)cc1C
InChIInChI=1S/C15H14ClN3O2S/c1-7-5-9(6-8(2)11(7)20-3)13-17-10-12(16)18-15(22-4)19-14(10)21-13/h5-6H,1-4H3
InChIKeyUUFOMEFUIDPTBQ-UHFFFAOYSA-N
XLogP4.29
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine (CID 71743137) is 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine is COc1c(C)cc(-c2nc3c(Cl)nc(SC)nc3o2)cc1C.
What is the InChIKey of 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is UUFOMEFUIDPTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-7-5-9(6-8(2)11(7)20-3)13-17-10-12(16)18-15(22-4)19-14(10)21-13/h5-6H,1-4H3.
What are the key properties of 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine?
7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 335.82 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methoxy-3,5-dimethylphenyl)-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71743137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).