3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C20H14F2N4O2 — CID 138682400

IUPAC3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2cnc(Oc3cccc(F)c3)c(F)c2)no1
InChIInChI=1S/C20H14F2N4O2/c21-13-3-1-4-15(9-13)27-20-17(22)8-12(11-25-20)7-14-10-18(28-26-14)16-5-2-6-24-19(16)23/h1-6,8-11H,7H2,(H2,23,24)
InChIKeyQDFPWHQQEZNDJD-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.38
Rot. Bonds5

About 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682400) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682400
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2cnc(Oc3cccc(F)c3)c(F)c2)no1
InChIInChI=1S/C20H14F2N4O2/c21-13-3-1-4-15(9-13)27-20-17(22)8-12(11-25-20)7-14-10-18(28-26-14)16-5-2-6-24-19(16)23/h1-6,8-11H,7H2,(H2,23,24)
InChIKeyQDFPWHQQEZNDJD-UHFFFAOYSA-N
XLogP4.38
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine
CID 138682287
3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 170219950
3-[3-[[4-(phenoxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255496
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-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682482
3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682184
[2-amino-3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate
CID 170221346
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682145
[2-amino-3-[3-[[4-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-1-ium-1-yl]methyl dihydrogen phosphate
CID 155736890
3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682443

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682400) is 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2cnc(Oc3cccc(F)c3)c(F)c2)no1.
What is the InChIKey of 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is QDFPWHQQEZNDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-13-3-1-4-15(9-13)27-20-17(22)8-12(11-25-20)7-14-10-18(28-26-14)16-5-2-6-24-19(16)23/h1-6,8-11H,7H2,(H2,23,24).
What are the key properties of 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 380.35 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-fluoro-6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).