[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

C22H15ClN2O4 — CID 138465099

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C22H15ClN2O4/c23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyBXDDCUHXLUJBAD-UHFFFAOYSA-N
MW406.83 g/mol
LogP5.54
Rot. Bonds6

About [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (PubChem CID 138465099) has the molecular formula C22H15ClN2O4 and a molecular weight of 406.83 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
PubChem CID138465099
Molecular FormulaC22H15ClN2O4
Molecular Weight406.83 g/mol
Exact Mass406.07
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C22H15ClN2O4/c23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyBXDDCUHXLUJBAD-UHFFFAOYSA-N
XLogP5.54
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.83
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 42630415
CID 42630775
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CID 57520178
CID 57520178
CID 66599292
CID 66599292
CID 68441894
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CID 68442066
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CID 68442825
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CID 68443269
CID 68443269

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (CID 138465099) is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The InChIKey is BXDDCUHXLUJBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O4/c23-17-9-6-15(7-10-17)20-12-19(29-25-20)14-27-22(26)16-8-11-21(24-13-16)28-18-4-2-1-3-5-18/h1-13H,14H2.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate has a molecular weight of 406.83 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 138465099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).