2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline

C14H10FN3O2 — CID 59825584

IUPAC2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline
SMILESNc1ccc(Oc2ccnc(-c3cnco3)c2)cc1F
InChIInChI=1S/C14H10FN3O2/c15-11-5-9(1-2-12(11)16)20-10-3-4-18-13(6-10)14-7-17-8-19-14/h1-8H,16H2
InChIKeyJRGYHULYUIRRJP-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.25
Rot. Bonds3

About 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline

2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline (PubChem CID 59825584) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline
PubChem CID59825584
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline
SMILESNc1ccc(Oc2ccnc(-c3cnco3)c2)cc1F
InChIInChI=1S/C14H10FN3O2/c15-11-5-9(1-2-12(11)16)20-10-3-4-18-13(6-10)14-7-17-8-19-14/h1-8H,16H2
InChIKeyJRGYHULYUIRRJP-UHFFFAOYSA-N
XLogP3.25
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline
CID 59825594
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate
CID 144842234
[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 67399290
5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 166069028
4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide
CID 91282385
5-[(2-pyridin-4-yl-4-pyridinyl)oxy]pyridin-2-amine
CID 166069029
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
4-(4-amino-3-fluorophenoxy)pyridin-1-ium-2-amine
CID 7147087
2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273788
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 174564823

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline?
The IUPAC name of 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline (CID 59825584) is 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline.
What is the SMILES notation for 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline?
The canonical SMILES for 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline is Nc1ccc(Oc2ccnc(-c3cnco3)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline?
The InChIKey is JRGYHULYUIRRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-5-9(1-2-12(11)16)20-10-3-4-18-13(6-10)14-7-17-8-19-14/h1-8H,16H2.
What are the key properties of 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline?
2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline has a molecular weight of 271.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 59825584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).