4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole

C13H16FNO2 — CID 162240467

IUPAC4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(COC(C)c2ccc(F)cc2)CO1
InChIInChI=1S/C13H16FNO2/c1-9(11-3-5-12(14)6-4-11)16-7-13-8-17-10(2)15-13/h3-6,9,13H,7-8H2,1-2H3
InChIKeyZWPZQHKXZXVOJN-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.72
Rot. Bonds4

About 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole

4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 162240467) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID162240467
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(COC(C)c2ccc(F)cc2)CO1
InChIInChI=1S/C13H16FNO2/c1-9(11-3-5-12(14)6-4-11)16-7-13-8-17-10(2)15-13/h3-6,9,13H,7-8H2,1-2H3
InChIKeyZWPZQHKXZXVOJN-UHFFFAOYSA-N
XLogP2.72
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
Mls002667700
CID 244135
(4S)-4-(1-phenyl-ethoxymethyl)-4,5-dihydro-oxazol-2-ylamine
CID 45101106
(S)-4-[(S)-1-(4-Fluoro-phenyl)-ethoxymethyl]-4,5-dihydro-oxazol-2-ylamine
CID 45101107
(4S)-4-[[(1S)-1-phenylpropoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173192
((4S,5S)-2-Benzyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 10262798
(4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
CID 719469
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394814
[(4S,5S)-5-ethenyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 44394839

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole (CID 162240467) is 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole is CC1=NC(COC(C)c2ccc(F)cc2)CO1.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZWPZQHKXZXVOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(11-3-5-12(14)6-4-11)16-7-13-8-17-10(2)15-13/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole?
4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 237.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 162240467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).