4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole

C13H15ClFNO2 — CID 91590086

IUPAC4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(CC(C)Oc2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C13H15ClFNO2/c1-8(5-10-7-17-9(2)16-10)18-11-3-4-13(15)12(14)6-11/h3-4,6,8,10H,5,7H2,1-2H3
InChIKeyVAPUQBVGBFYXCM-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.45
Rot. Bonds4

About 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole

4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 91590086) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID91590086
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(CC(C)Oc2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C13H15ClFNO2/c1-8(5-10-7-17-9(2)16-10)18-11-3-4-13(15)12(14)6-11/h3-4,6,8,10H,5,7H2,1-2H3
InChIKeyVAPUQBVGBFYXCM-UHFFFAOYSA-N
XLogP3.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177300
4-[2-(4-chloro-3-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177737
(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45102519
(4S)-4-[(2R)-2-(4-chloro-3-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67178117
(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173136
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene
CID 14773496
2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 63879337
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole (CID 91590086) is 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole is CC1=NC(CC(C)Oc2ccc(F)c(Cl)c2)CO1.
What is the InChIKey of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is VAPUQBVGBFYXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-8(5-10-7-17-9(2)16-10)18-11-3-4-13(15)12(14)6-11/h3-4,6,8,10H,5,7H2,1-2H3.
What are the key properties of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole?
4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 271.72 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91590086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).