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

C26H25NO4 — CID 11165931

IUPAC5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1cc(-c2oncc2-c2ccc(OC)cc2)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-4-19-14-22(25(15-24(19)29-3)30-17-18-8-6-5-7-9-18)26-23(16-27-31-26)20-10-12-21(28-2)13-11-20/h5-16H,4,17H2,1-3H3
InChIKeyNCIIKBHCZPIMMS-UHFFFAOYSA-N
MW415.49 g/mol
LogP6.17
Rot. Bonds8

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

5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 11165931) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
PubChem CID11165931
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1cc(-c2oncc2-c2ccc(OC)cc2)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-4-19-14-22(25(15-24(19)29-3)30-17-18-8-6-5-7-9-18)26-23(16-27-31-26)20-10-12-21(28-2)13-11-20/h5-16H,4,17H2,1-3H3
InChIKeyNCIIKBHCZPIMMS-UHFFFAOYSA-N
XLogP6.17
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole (CID 11165931) is 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole is CCc1cc(-c2oncc2-c2ccc(OC)cc2)c(OCc2ccccc2)cc1OC.
What is the InChIKey of 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is NCIIKBHCZPIMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-4-19-14-22(25(15-24(19)29-3)30-17-18-8-6-5-7-9-18)26-23(16-27-31-26)20-10-12-21(28-2)13-11-20/h5-16H,4,17H2,1-3H3.
What are the key properties of 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 415.49 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 11165931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).