3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C20H17FN4O2 — CID 170219950

IUPAC3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(CC2=CNC(Oc3cccc(F)c3)C=C2)no1
InChIInChI=1S/C20H17FN4O2/c21-14-3-1-4-16(10-14)26-19-7-6-13(12-24-19)9-15-11-18(27-25-15)17-5-2-8-23-20(17)22/h1-8,10-12,19,24H,9H2,(H2,22,23)
InChIKeyVSKKNVPIJJMRBT-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.45
Rot. Bonds5

About 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 170219950) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID170219950
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(CC2=CNC(Oc3cccc(F)c3)C=C2)no1
InChIInChI=1S/C20H17FN4O2/c21-14-3-1-4-16(10-14)26-19-7-6-13(12-24-19)9-15-11-18(27-25-15)17-5-2-8-23-20(17)22/h1-8,10-12,19,24H,9H2,(H2,22,23)
InChIKeyVSKKNVPIJJMRBT-UHFFFAOYSA-N
XLogP3.45
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine with MolForge

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Related Compounds

3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 170219798
3-[3-[[2-[(1-methylpyrazol-4-yl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 170219787
3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682400
3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843
3-[3-[[4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682375
3-[3-[[4-[(2,6-difluoro-4-pyridinyl)methyl]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682322
3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 148913175
3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255147
5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine
CID 138682287
3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682184
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682145
3-[3-[(2-cyclohexa-1,5-dien-1-yloxy-3H-azepin-6-yl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 170219970

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 170219950) is 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(CC2=CNC(Oc3cccc(F)c3)C=C2)no1.
What is the InChIKey of 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is VSKKNVPIJJMRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-14-3-1-4-16(10-14)26-19-7-6-13(12-24-19)9-15-11-18(27-25-15)17-5-2-8-23-20(17)22/h1-8,10-12,19,24H,9H2,(H2,22,23).
What are the key properties of 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 364.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 170219950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).