methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

C27H22N2O4 — CID 52951826

IUPACmethyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(-c5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C27H22N2O4/c1-32-27(31)23-9-5-8-22(29-23)24-16-28-26(33-24)25(30)21-13-12-19-14-18(10-11-20(19)15-21)17-6-3-2-4-7-17/h2-11,14,16,21H,12-13,15H2,1H3/t21-/m1/s1
InChIKeyXCJYQTBTCKPUDK-OAQYLSRUSA-N
MW438.48 g/mol
LogP5.18
Rot. Bonds5

About methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 52951826) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID52951826
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Namemethyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(-c5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C27H22N2O4/c1-32-27(31)23-9-5-8-22(29-23)24-16-28-26(33-24)25(30)21-13-12-19-14-18(10-11-20(19)15-21)17-6-3-2-4-7-17/h2-11,14,16,21H,12-13,15H2,1H3/t21-/m1/s1
InChIKeyXCJYQTBTCKPUDK-OAQYLSRUSA-N
XLogP5.18
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 52951826) is methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(-c5ccccc5)ccc4C3)o2)n1.
What is the InChIKey of methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is XCJYQTBTCKPUDK-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-32-27(31)23-9-5-8-22(29-23)24-16-28-26(33-24)25(30)21-13-12-19-14-18(10-11-20(19)15-21)17-6-3-2-4-7-17/h2-11,14,16,21H,12-13,15H2,1H3/t21-/m1/s1.
What are the key properties of methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[(2R)-6-phenyl-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 52951826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).