5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole

C14H17NO2 — CID 71379706

IUPAC5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole
SMILESCCOCCc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C14H17NO2/c1-3-16-10-9-13-11(2)15-14(17-13)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyCFVLZWMYQQBBDB-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.23
Rot. Bonds5

About 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole

5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole (PubChem CID 71379706) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole
PubChem CID71379706
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole
SMILESCCOCCc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C14H17NO2/c1-3-16-10-9-13-11(2)15-14(17-13)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyCFVLZWMYQQBBDB-UHFFFAOYSA-N
XLogP3.23
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-[[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyldisulfanyl]methyl]-2-phenyl-1,3-oxazole
CID 54022373
4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
CID 54240728
2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole
CID 22261206
(4-methyl-2-phenyl-1,3-oxazol-5-yl) propanoate
CID 172679372
[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 143299914
1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458
(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
CID 90736452
3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336
[(1S)-5-[2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl] butanoate
CID 91096146
N-(4-ethylphenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649816
4-methyl-5-(2-phenoxyethylsulfanylmethyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-oxazole
CID 21108835
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole (CID 71379706) is 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole is CCOCCc1oc(-c2ccccc2)nc1C.
What is the InChIKey of 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole?
The InChIKey is CFVLZWMYQQBBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-16-10-9-13-11(2)15-14(17-13)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole?
5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole has a molecular weight of 231.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 71379706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).