4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine

C23H21FN4O2S — CID 16581426

IUPAC4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESFc1ccc(-c2cnc(CSc3nc(CN4CCOCC4)nc4ccccc34)o2)cc1
InChIInChI=1S/C23H21FN4O2S/c24-17-7-5-16(6-8-17)20-13-25-22(30-20)15-31-23-18-3-1-2-4-19(18)26-21(27-23)14-28-9-11-29-12-10-28/h1-8,13H,9-12,14-15H2
InChIKeyQWQYRWKNEHDICF-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.55
Rot. Bonds6

About 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine

4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine (PubChem CID 16581426) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
PubChem CID16581426
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESFc1ccc(-c2cnc(CSc3nc(CN4CCOCC4)nc4ccccc34)o2)cc1
InChIInChI=1S/C23H21FN4O2S/c24-17-7-5-16(6-8-17)20-13-25-22(30-20)15-31-23-18-3-1-2-4-19(18)26-21(27-23)14-28-9-11-29-12-10-28/h1-8,13H,9-12,14-15H2
InChIKeyQWQYRWKNEHDICF-UHFFFAOYSA-N
XLogP4.55
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine (CID 16581426) is 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine is Fc1ccc(-c2cnc(CSc3nc(CN4CCOCC4)nc4ccccc34)o2)cc1.
What is the InChIKey of 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The InChIKey is QWQYRWKNEHDICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c24-17-7-5-16(6-8-17)20-13-25-22(30-20)15-31-23-18-3-1-2-4-19(18)26-21(27-23)14-28-9-11-29-12-10-28/h1-8,13H,9-12,14-15H2.
What are the key properties of 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine has a molecular weight of 436.51 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine is sourced from PubChem (CID 16581426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).