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

C28H24N2O5 — CID 52951121

IUPACmethyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(OCc5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C28H24N2O5/c1-33-28(32)24-9-5-8-23(30-24)25-16-29-27(35-25)26(31)21-11-10-20-15-22(13-12-19(20)14-21)34-17-18-6-3-2-4-7-18/h2-9,12-13,15-16,21H,10-11,14,17H2,1H3/t21-/m0/s1
InChIKeyJIAUKJPVCPDMBB-NRFANRHFSA-N
MW468.51 g/mol
LogP5.09
Rot. Bonds7

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

methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 52951121) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID52951121
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Namemethyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(OCc5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C28H24N2O5/c1-33-28(32)24-9-5-8-23(30-24)25-16-29-27(35-25)26(31)21-11-10-20-15-22(13-12-19(20)14-21)34-17-18-6-3-2-4-7-18/h2-9,12-13,15-16,21H,10-11,14,17H2,1H3/t21-/m0/s1
InChIKeyJIAUKJPVCPDMBB-NRFANRHFSA-N
XLogP5.09
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 52951121) is methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[(2S)-6-phenylmethoxy-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(OCc5ccccc5)ccc4C3)o2)n1.
What is the InChIKey of methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is JIAUKJPVCPDMBB-NRFANRHFSA-N. The full InChI is InChI=1S/C28H24N2O5/c1-33-28(32)24-9-5-8-23(30-24)25-16-29-27(35-25)26(31)21-11-10-20-15-22(13-12-19(20)14-21)34-17-18-6-3-2-4-7-18/h2-9,12-13,15-16,21H,10-11,14,17H2,1H3/t21-/m0/s1.
What are the key properties of methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[(2S)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 52951121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).