4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole

C24H21NO4 — CID 53325768

IUPAC4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H21NO4/c1-26-20-11-8-18(9-12-20)21-15-25-29-24(21)19-10-13-22(27-2)23(14-19)28-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKeyTVEASNFIOIAWEP-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.60
Rot. Bonds7

About 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole

4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole (PubChem CID 53325768) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole
PubChem CID53325768
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H21NO4/c1-26-20-11-8-18(9-12-20)21-15-25-29-24(21)19-10-13-22(27-2)23(14-19)28-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKeyTVEASNFIOIAWEP-UHFFFAOYSA-N
XLogP5.60
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole (CID 53325768) is 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole is COc1ccc(-c2cnoc2-c2ccc(OC)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole?
The InChIKey is TVEASNFIOIAWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-26-20-11-8-18(9-12-20)21-15-25-29-24(21)19-10-13-22(27-2)23(14-19)28-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole?
4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole has a molecular weight of 387.44 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 53325768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).