4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole

C22H19NO4 — CID 151726229

IUPAC4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1OC
InChIInChI=1S/C22H19NO4/c1-24-19-11-9-17(15-6-4-5-7-16(15)19)22-18(13-23-27-22)14-8-10-20(25-2)21(12-14)26-3/h4-13H,1-3H3
InChIKeyRJPXTUZLHCFTQU-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.19
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole

4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole (PubChem CID 151726229) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
PubChem CID151726229
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1OC
InChIInChI=1S/C22H19NO4/c1-24-19-11-9-17(15-6-4-5-7-16(15)19)22-18(13-23-27-22)14-8-10-20(25-2)21(12-14)26-3/h4-13H,1-3H3
InChIKeyRJPXTUZLHCFTQU-UHFFFAOYSA-N
XLogP5.19
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole (CID 151726229) is 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole is COc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The InChIKey is RJPXTUZLHCFTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-24-19-11-9-17(15-6-4-5-7-16(15)19)22-18(13-23-27-22)14-8-10-20(25-2)21(12-14)26-3/h4-13H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole has a molecular weight of 361.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole is sourced from PubChem (CID 151726229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).