3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine

C23H20ClF2N5O3 — CID 11283192

IUPAC3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine
SMILESCn1c(-c2ccc(OC(F)F)cc2)nnc1N1CCOCC1c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C23H20ClF2N5O3/c1-30-21(14-5-7-17(8-6-14)33-22(25)26)27-28-23(30)31-9-10-32-13-19(31)18-12-20(34-29-18)15-3-2-4-16(24)11-15/h2-8,11-12,19,22H,9-10,13H2,1H3
InChIKeyGXQGOISQSIBNBV-UHFFFAOYSA-N
MW487.89 g/mol
LogP4.97
Rot. Bonds6

About 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine

3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine (PubChem CID 11283192) has the molecular formula C23H20ClF2N5O3 and a molecular weight of 487.89 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine
PubChem CID11283192
Molecular FormulaC23H20ClF2N5O3
Molecular Weight487.89 g/mol
Exact Mass487.12
IUPAC Name3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine
SMILESCn1c(-c2ccc(OC(F)F)cc2)nnc1N1CCOCC1c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C23H20ClF2N5O3/c1-30-21(14-5-7-17(8-6-14)33-22(25)26)27-28-23(30)31-9-10-32-13-19(31)18-12-20(34-29-18)15-3-2-4-16(24)11-15/h2-8,11-12,19,22H,9-10,13H2,1H3
InChIKeyGXQGOISQSIBNBV-UHFFFAOYSA-N
XLogP4.97
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.89
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine (CID 11283192) is 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine is Cn1c(-c2ccc(OC(F)F)cc2)nnc1N1CCOCC1c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine?
The InChIKey is GXQGOISQSIBNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N5O3/c1-30-21(14-5-7-17(8-6-14)33-22(25)26)27-28-23(30)31-9-10-32-13-19(31)18-12-20(34-29-18)15-3-2-4-16(24)11-15/h2-8,11-12,19,22H,9-10,13H2,1H3.
What are the key properties of 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine?
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine has a molecular weight of 487.89 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 11283192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).