methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

C25H22N2O3 — CID 24799298

IUPACmethyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C25H22N2O3/c1-29-25(28)22-11-6-10-21(27-22)23-17-26-24(30-23)12-5-7-18-13-15-20(16-14-18)19-8-3-2-4-9-19/h2-4,6,8-11,13-17H,5,7,12H2,1H3
InChIKeyVPCUJFFFBKBTBI-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.37
Rot. Bonds7

About methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 24799298) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
PubChem CID24799298
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Namemethyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C25H22N2O3/c1-29-25(28)22-11-6-10-21(27-22)23-17-26-24(30-23)12-5-7-18-13-15-20(16-14-18)19-8-3-2-4-9-19/h2-4,6,8-11,13-17H,5,7,12H2,1H3
InChIKeyVPCUJFFFBKBTBI-UHFFFAOYSA-N
XLogP5.37
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 24799298) is methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1.
What is the InChIKey of methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
The InChIKey is VPCUJFFFBKBTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-25(28)22-11-6-10-21(27-22)23-17-26-24(30-23)12-5-7-18-13-15-20(16-14-18)19-8-3-2-4-9-19/h2-4,6,8-11,13-17H,5,7,12H2,1H3.
What are the key properties of methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 24799298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).