methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate

C22H18N2O5 — CID 88979364

IUPACmethyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)cn1
InChIInChI=1S/C22H18N2O5/c1-26-22(25)19-12-11-18(14-23-19)28-21-13-20(29-24-21)15-7-9-17(10-8-15)27-16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3/t20-/m1/s1
InChIKeyHZWVMJNZIPVSJR-HXUWFJFHSA-N
MW390.40 g/mol
LogP4.51
Rot. Bonds5

About methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate

methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate (PubChem CID 88979364) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate
PubChem CID88979364
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Namemethyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)cn1
InChIInChI=1S/C22H18N2O5/c1-26-22(25)19-12-11-18(14-23-19)28-21-13-20(29-24-21)15-7-9-17(10-8-15)27-16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3/t20-/m1/s1
InChIKeyHZWVMJNZIPVSJR-HXUWFJFHSA-N
XLogP4.51
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate (CID 88979364) is methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate is COC(=O)c1ccc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)cn1.
What is the InChIKey of methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate?
The InChIKey is HZWVMJNZIPVSJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-26-22(25)19-12-11-18(14-23-19)28-21-13-20(29-24-21)15-7-9-17(10-8-15)27-16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3/t20-/m1/s1.
What are the key properties of methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate?
methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate has a molecular weight of 390.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate is sourced from PubChem (CID 88979364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).