4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole

C20H23NO2 — CID 91404957

IUPAC4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole
SMILESCCc1cccc(OCCC2=C(C)OC(c3ccccc3)N2)c1
InChIInChI=1S/C20H23NO2/c1-3-16-8-7-11-18(14-16)22-13-12-19-15(2)23-20(21-19)17-9-5-4-6-10-17/h4-11,14,20-21H,3,12-13H2,1-2H3
InChIKeyGPHWPMPFCSUQEO-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.57
Rot. Bonds6

About 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole

4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole (PubChem CID 91404957) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole
PubChem CID91404957
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole
SMILESCCc1cccc(OCCC2=C(C)OC(c3ccccc3)N2)c1
InChIInChI=1S/C20H23NO2/c1-3-16-8-7-11-18(14-16)22-13-12-19-15(2)23-20(21-19)17-9-5-4-6-10-17/h4-11,14,20-21H,3,12-13H2,1-2H3
InChIKeyGPHWPMPFCSUQEO-UHFFFAOYSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[3-[[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxycarbonylamino]methyl]phenoxy]cyclobutane-1-carboxylate
CID 91234658
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
2-[(4-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 91304024
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
2-[2-(3-ethylphenoxy)ethyl]aniline
CID 62495247
2-[3-[2-(5-ethyl-2-methyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]phenyl]acetic acid
CID 91255672
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole (CID 91404957) is 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole is CCc1cccc(OCCC2=C(C)OC(c3ccccc3)N2)c1.
What is the InChIKey of 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole?
The InChIKey is GPHWPMPFCSUQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-16-8-7-11-18(14-16)22-13-12-19-15(2)23-20(21-19)17-9-5-4-6-10-17/h4-11,14,20-21H,3,12-13H2,1-2H3.
What are the key properties of 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole?
4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole has a molecular weight of 309.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethylphenoxy)ethyl]-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 91404957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).