3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine

C13H14FN3O2 — CID 115112379

IUPAC3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(F)cc2N2CCOCC2)no1
InChIInChI=1S/C13H14FN3O2/c14-9-1-2-10(11-8-13(15)19-16-11)12(7-9)17-3-5-18-6-4-17/h1-2,7-8H,3-6,15H2
InChIKeyRXLFPEDIZYMKKV-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.90
Rot. Bonds2

About 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine

3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 115112379) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine
PubChem CID115112379
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(F)cc2N2CCOCC2)no1
InChIInChI=1S/C13H14FN3O2/c14-9-1-2-10(11-8-13(15)19-16-11)12(7-9)17-3-5-18-6-4-17/h1-2,7-8H,3-6,15H2
InChIKeyRXLFPEDIZYMKKV-UHFFFAOYSA-N
XLogP1.90
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-piperidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117360434
2-(5-amino-1,2-oxazol-3-yl)-4-morpholin-4-ylphenol
CID 136963478
2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
CID 117111920
3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 115112637
3-[4-fluoro-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117317629
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
1-methyl-3-(4-methyl-2-morpholin-4-ylphenyl)pyrazol-5-amine
CID 115111993
2,4-difluoro-6-(1,4-oxazepan-4-yl)aniline
CID 115506948
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 115111111
2-(5-fluoro-2-morpholin-4-ylphenyl)ethanamine
CID 63784729
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378355

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine (CID 115112379) is 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(F)cc2N2CCOCC2)no1.
What is the InChIKey of 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is RXLFPEDIZYMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-1-2-10(11-8-13(15)19-16-11)12(7-9)17-3-5-18-6-4-17/h1-2,7-8H,3-6,15H2.
What are the key properties of 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine?
3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 263.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-morpholin-4-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115112379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).