5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole

C23H20N2O3 — CID 42629071

IUPAC5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1COc1cc(OCc2ccccc2)ccn1
InChIInChI=1S/C23H20N2O3/c1-17-21(23(25-28-17)19-10-6-3-7-11-19)16-27-22-14-20(12-13-24-22)26-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3
InChIKeyDGFQIJMEILPIEC-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.20
Rot. Bonds7

About 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole

5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole (PubChem CID 42629071) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole
PubChem CID42629071
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1COc1cc(OCc2ccccc2)ccn1
InChIInChI=1S/C23H20N2O3/c1-17-21(23(25-28-17)19-10-6-3-7-11-19)16-27-22-14-20(12-13-24-22)26-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3
InChIKeyDGFQIJMEILPIEC-UHFFFAOYSA-N
XLogP5.20
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole (CID 42629071) is 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole is Cc1onc(-c2ccccc2)c1COc1cc(OCc2ccccc2)ccn1.
What is the InChIKey of 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole?
The InChIKey is DGFQIJMEILPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-17-21(23(25-28-17)19-10-6-3-7-11-19)16-27-22-14-20(12-13-24-22)26-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3.
What are the key properties of 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole?
5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole has a molecular weight of 372.42 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-[(4-phenylmethoxy-2-pyridinyl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 42629071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).