4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine

C15H11N3O2S — CID 24656795

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(Sc2ncnc3c2oc2ccccc23)oc1C
InChIInChI=1S/C15H11N3O2S/c1-8-9(2)19-15(18-8)21-14-13-12(16-7-17-14)10-5-3-4-6-11(10)20-13/h3-7H,1-2H3
InChIKeySARQRBZXZWQYNF-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.13
Rot. Bonds2

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 24656795) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID24656795
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1nc(Sc2ncnc3c2oc2ccccc23)oc1C
InChIInChI=1S/C15H11N3O2S/c1-8-9(2)19-15(18-8)21-14-13-12(16-7-17-14)10-5-3-4-6-11(10)20-13/h3-7H,1-2H3
InChIKeySARQRBZXZWQYNF-UHFFFAOYSA-N
XLogP4.13
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine (CID 24656795) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine is Cc1nc(Sc2ncnc3c2oc2ccccc23)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is SARQRBZXZWQYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-8-9(2)19-15(18-8)21-14-13-12(16-7-17-14)10-5-3-4-6-11(10)20-13/h3-7H,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 297.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 24656795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).