5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole

C30H25NO4 — CID 53320475

IUPAC5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C30H25NO4/c1-32-26-15-12-24(13-16-26)27-19-31-35-30(27)25-14-17-28(33-20-22-8-4-2-5-9-22)29(18-25)34-21-23-10-6-3-7-11-23/h2-19H,20-21H2,1H3
InChIKeyRCGPPVPFKXMSJX-UHFFFAOYSA-N
MW463.53 g/mol
LogP7.18
Rot. Bonds9

About 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole

5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 53320475) has the molecular formula C30H25NO4 and a molecular weight of 463.53 g/mol. Its IUPAC name is 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole
PubChem CID53320475
Molecular FormulaC30H25NO4
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C30H25NO4/c1-32-26-15-12-24(13-16-26)27-19-31-35-30(27)25-14-17-28(33-20-22-8-4-2-5-9-22)29(18-25)34-21-23-10-6-3-7-11-23/h2-19H,20-21H2,1H3
InChIKeyRCGPPVPFKXMSJX-UHFFFAOYSA-N
XLogP7.18
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole (CID 53320475) is 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cnoc2-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is RCGPPVPFKXMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO4/c1-32-26-15-12-24(13-16-26)27-19-31-35-30(27)25-14-17-28(33-20-22-8-4-2-5-9-22)29(18-25)34-21-23-10-6-3-7-11-23/h2-19H,20-21H2,1H3.
What are the key properties of 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole?
5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 463.53 g/mol, XLogP of 7.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 53320475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).