2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole

C22H25NO2 — CID 18515879

IUPAC2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole
SMILESCc1ccc(OCCc2coc(-c3ccccc3C(C)(C)C)n2)cc1
InChIInChI=1S/C22H25NO2/c1-16-9-11-18(12-10-16)24-14-13-17-15-25-21(23-17)19-7-5-6-8-20(19)22(2,3)4/h5-12,15H,13-14H2,1-4H3
InChIKeyZCVUHTGDSIFQHD-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.57
Rot. Bonds5

About 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole

2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole (PubChem CID 18515879) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole
PubChem CID18515879
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole
SMILESCc1ccc(OCCc2coc(-c3ccccc3C(C)(C)C)n2)cc1
InChIInChI=1S/C22H25NO2/c1-16-9-11-18(12-10-16)24-14-13-17-15-25-21(23-17)19-7-5-6-8-20(19)22(2,3)4/h5-12,15H,13-14H2,1-4H3
InChIKeyZCVUHTGDSIFQHD-UHFFFAOYSA-N
XLogP5.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-[4-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol;dihydrate;hydrochloride
CID 135853158
2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
CID 158241679
2,6-ditert-butyl-4-[4-[2-[2-[2-(ethylamino)ethyl]-4-methylphenoxy]ethyl]-1,3-oxazol-2-yl]phenol
CID 139893607
2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone
CID 59093125
2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol
CID 135725033
2-[[4-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 57228738
2,6-ditert-butyl-4-[4-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethyl]-1,3-oxazol-2-yl]phenol
CID 135725145
2,6-ditert-butyl-4-[4-[2-(2-chloro-4-methylphenoxy)ethyl]-1,3-oxazol-2-yl]phenol;N-methylethanamine;hydrochloride
CID 135725116
4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51117274
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole (CID 18515879) is 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole is Cc1ccc(OCCc2coc(-c3ccccc3C(C)(C)C)n2)cc1.
What is the InChIKey of 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole?
The InChIKey is ZCVUHTGDSIFQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16-9-11-18(12-10-16)24-14-13-17-15-25-21(23-17)19-7-5-6-8-20(19)22(2,3)4/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole?
2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole has a molecular weight of 335.45 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 18515879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).