4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole

C24H24N2O3 — CID 174461219

IUPAC4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole
SMILESCCc1coc(-c2cc(Oc3ccc(C)c(-c4nc(CC)co4)c3)ccc2C)n1
InChIInChI=1S/C24H24N2O3/c1-5-17-13-27-23(25-17)21-11-19(9-7-15(21)3)29-20-10-8-16(4)22(12-20)24-26-18(6-2)14-28-24/h7-14H,5-6H2,1-4H3
InChIKeyZQFSGTWSDHXKRH-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.53
Rot. Bonds6

About 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole

4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole (PubChem CID 174461219) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole
PubChem CID174461219
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole
SMILESCCc1coc(-c2cc(Oc3ccc(C)c(-c4nc(CC)co4)c3)ccc2C)n1
InChIInChI=1S/C24H24N2O3/c1-5-17-13-27-23(25-17)21-11-19(9-7-15(21)3)29-20-10-8-16(4)22(12-20)24-26-18(6-2)14-28-24/h7-14H,5-6H2,1-4H3
InChIKeyZQFSGTWSDHXKRH-UHFFFAOYSA-N
XLogP6.53
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10091852
CID 10199589
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CID 10294697
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CID 10522854
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CID 10524496
CID 10524496
CID 10665557
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CID 21942723
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CID 21942737
CID 21942737

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole?
The IUPAC name of 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole (CID 174461219) is 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole is CCc1coc(-c2cc(Oc3ccc(C)c(-c4nc(CC)co4)c3)ccc2C)n1.
What is the InChIKey of 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole?
The InChIKey is ZQFSGTWSDHXKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-5-17-13-27-23(25-17)21-11-19(9-7-15(21)3)29-20-10-8-16(4)22(12-20)24-26-18(6-2)14-28-24/h7-14H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole?
4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole has a molecular weight of 388.47 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole is sourced from PubChem (CID 174461219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).