5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole

C21H17NO3 — CID 152523230

IUPAC5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C21H17NO3/c1-23-15-9-7-14(8-10-15)19-13-22-25-21(19)18-11-12-20(24-2)17-6-4-3-5-16(17)18/h3-13H,1-2H3
InChIKeyYHZBIDPNHCWWGE-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.18
Rot. Bonds4

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

5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 152523230) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole
PubChem CID152523230
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C21H17NO3/c1-23-15-9-7-14(8-10-15)19-13-22-25-21(19)18-11-12-20(24-2)17-6-4-3-5-16(17)18/h3-13H,1-2H3
InChIKeyYHZBIDPNHCWWGE-UHFFFAOYSA-N
XLogP5.18
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole (CID 152523230) is 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1.
What is the InChIKey of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is YHZBIDPNHCWWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-23-15-9-7-14(8-10-15)19-13-22-25-21(19)18-11-12-20(24-2)17-6-4-3-5-16(17)18/h3-13H,1-2H3.
What are the key properties of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole?
5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 331.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 152523230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).