4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole

C14H19NO — CID 134855092

IUPAC4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2c(C)cc(C)cc2C)=N1
InChIInChI=1S/C14H19NO/c1-5-12-8-16-14(15-12)13-10(3)6-9(2)7-11(13)4/h6-7,12H,5,8H2,1-4H3
InChIKeyHUCPCHRRHBNIHI-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.17
Rot. Bonds2

About 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole

4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134855092) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID134855092
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2c(C)cc(C)cc2C)=N1
InChIInChI=1S/C14H19NO/c1-5-12-8-16-14(15-12)13-10(3)6-9(2)7-11(13)4/h6-7,12H,5,8H2,1-4H3
InChIKeyHUCPCHRRHBNIHI-UHFFFAOYSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methoxymethyl)-2,4,6-trimethylbenzaldehyde oxime
CID 6891479
4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
1,3-Bis((r)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 24761720
2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2-(2-Naphthyl)-2-oxazoline
CID 12776826
2-(4-Ethylphenyl)-4,5-dihydrooxazole
CID 66764190
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole (CID 134855092) is 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole is CCC1COC(c2c(C)cc(C)cc2C)=N1.
What is the InChIKey of 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HUCPCHRRHBNIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-12-8-16-14(15-12)13-10(3)6-9(2)7-11(13)4/h6-7,12H,5,8H2,1-4H3.
What are the key properties of 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole?
4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134855092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).