4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine

C24H23ClFN5O2S — CID 60601929

IUPAC4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine
SMILESFc1ccc(-c2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C24H23ClFN5O2S/c25-19-3-1-2-18(14-19)21-15-27-22(33-21)16-34-24-29-28-23(17-4-6-20(26)7-5-17)31(24)9-8-30-10-12-32-13-11-30/h1-7,14-15H,8-13,16H2
InChIKeySLUMGJNXZOZXHU-UHFFFAOYSA-N
MW500.00 g/mol
LogP5.02
Rot. Bonds8

About 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine

4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine (PubChem CID 60601929) has the molecular formula C24H23ClFN5O2S and a molecular weight of 500.00 g/mol. Its IUPAC name is 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine
PubChem CID60601929
Molecular FormulaC24H23ClFN5O2S
Molecular Weight500.00 g/mol
Exact Mass499.12
IUPAC Name4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine
SMILESFc1ccc(-c2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C24H23ClFN5O2S/c25-19-3-1-2-18(14-19)21-15-27-22(33-21)16-34-24-29-28-23(17-4-6-20(26)7-5-17)31(24)9-8-30-10-12-32-13-11-30/h1-7,14-15H,8-13,16H2
InChIKeySLUMGJNXZOZXHU-UHFFFAOYSA-N
XLogP5.02
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine (CID 60601929) is 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine is Fc1ccc(-c2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)n2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine?
The InChIKey is SLUMGJNXZOZXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2S/c25-19-3-1-2-18(14-19)21-15-27-22(33-21)16-34-24-29-28-23(17-4-6-20(26)7-5-17)31(24)9-8-30-10-12-32-13-11-30/h1-7,14-15H,8-13,16H2.
What are the key properties of 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine?
4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine has a molecular weight of 500.00 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine is sourced from PubChem (CID 60601929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).