3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine

C17H15FN2O3 — CID 118489513

IUPAC3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine
SMILESNc1conc1-c1ccc(OCc2cccc(OCF)c2)cc1
InChIInChI=1S/C17H15FN2O3/c18-11-22-15-3-1-2-12(8-15)9-21-14-6-4-13(5-7-14)17-16(19)10-23-20-17/h1-8,10H,9,11,19H2
InChIKeyUNOMMUIECGQUOL-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.81
Rot. Bonds6

About 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine

3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine (PubChem CID 118489513) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine
PubChem CID118489513
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine
SMILESNc1conc1-c1ccc(OCc2cccc(OCF)c2)cc1
InChIInChI=1S/C17H15FN2O3/c18-11-22-15-3-1-2-12(8-15)9-21-14-6-4-13(5-7-14)17-16(19)10-23-20-17/h1-8,10H,9,11,19H2
InChIKeyUNOMMUIECGQUOL-UHFFFAOYSA-N
XLogP3.81
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine
CID 144638030
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine
CID 144638025
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
1-benzyl-3-(fluoromethoxy)benzene
CID 173286107
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
4-[(4-phenylphenoxy)methyl]pyridin-2-amine
CID 62466234
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine?
The IUPAC name of 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine (CID 118489513) is 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine is Nc1conc1-c1ccc(OCc2cccc(OCF)c2)cc1.
What is the InChIKey of 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine?
The InChIKey is UNOMMUIECGQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-11-22-15-3-1-2-12(8-15)9-21-14-6-4-13(5-7-14)17-16(19)10-23-20-17/h1-8,10H,9,11,19H2.
What are the key properties of 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine?
3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine has a molecular weight of 314.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 118489513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).