4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H14ClFN2O2 — CID 67177300

IUPAC4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(CC1COC(N)=N1)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O2/c1-7(4-8-6-17-12(15)16-8)18-9-2-3-11(14)10(13)5-9/h2-3,5,7-8H,4,6H2,1H3,(H2,15,16)
InChIKeyWJEVBKQGPZPUSR-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.35
Rot. Bonds4

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

4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67177300) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67177300
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(CC1COC(N)=N1)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O2/c1-7(4-8-6-17-12(15)16-8)18-9-2-3-11(14)10(13)5-9/h2-3,5,7-8H,4,6H2,1H3,(H2,15,16)
InChIKeyWJEVBKQGPZPUSR-UHFFFAOYSA-N
XLogP2.35
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole
CID 91590086
(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
4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68715792
4-[2-(3,5-difluorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68716156
4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67180774
4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 163469476
N-[4-[(2R)-3-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]-1,1,1-trifluoropropan-2-yl]oxyphenyl]-4-chlorobenzamide
CID 58256361
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173187

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67177300) is 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(CC1COC(N)=N1)Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is WJEVBKQGPZPUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-7(4-8-6-17-12(15)16-8)18-9-2-3-11(14)10(13)5-9/h2-3,5,7-8H,4,6H2,1H3,(H2,15,16).
What are the key properties of 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 272.71 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67177300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).