5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole

C22H18N2O3 — CID 25235411

IUPAC5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(-c3ccncc3-c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C22H18N2O3/c1-25-17-8-6-15(7-9-17)21-14-24-22(27-21)19-10-11-23-13-20(19)16-4-3-5-18(12-16)26-2/h3-14H,1-2H3
InChIKeyCTNUOHRUVZXVHX-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.09
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole

5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole (PubChem CID 25235411) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole
PubChem CID25235411
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(-c3ccncc3-c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C22H18N2O3/c1-25-17-8-6-15(7-9-17)21-14-24-22(27-21)19-10-11-23-13-20(19)16-4-3-5-18(12-16)26-2/h3-14H,1-2H3
InChIKeyCTNUOHRUVZXVHX-UHFFFAOYSA-N
XLogP5.09
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole (CID 25235411) is 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole is COc1ccc(-c2cnc(-c3ccncc3-c3cccc(OC)c3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole?
The InChIKey is CTNUOHRUVZXVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-25-17-8-6-15(7-9-17)21-14-24-22(27-21)19-10-11-23-13-20(19)16-4-3-5-18(12-16)26-2/h3-14H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole?
5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole has a molecular weight of 358.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 25235411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).