5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine

C20H15F2N5O — CID 138682287

IUPAC5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2cnc(Nc3ccccc3F)c(F)c2)no1
InChIInChI=1S/C20H15F2N5O/c21-15-5-1-2-6-17(15)26-20-16(22)9-12(11-25-20)8-13-10-18(28-27-13)14-4-3-7-24-19(14)23/h1-7,9-11H,8H2,(H2,23,24)(H,25,26)
InChIKeyHCWIZVSSVURSDY-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.33
Rot. Bonds5

About 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine

5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine (PubChem CID 138682287) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine
PubChem CID138682287
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2cnc(Nc3ccccc3F)c(F)c2)no1
InChIInChI=1S/C20H15F2N5O/c21-15-5-1-2-6-17(15)26-20-16(22)9-12(11-25-20)8-13-10-18(28-27-13)14-4-3-7-24-19(14)23/h1-7,9-11H,8H2,(H2,23,24)(H,25,26)
InChIKeyHCWIZVSSVURSDY-UHFFFAOYSA-N
XLogP4.33
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine?
The IUPAC name of 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine (CID 138682287) is 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine is Nc1ncccc1-c1cc(Cc2cnc(Nc3ccccc3F)c(F)c2)no1.
What is the InChIKey of 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine?
The InChIKey is HCWIZVSSVURSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-15-5-1-2-6-17(15)26-20-16(22)9-12(11-25-20)8-13-10-18(28-27-13)14-4-3-7-24-19(14)23/h1-7,9-11H,8H2,(H2,23,24)(H,25,26).
What are the key properties of 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine?
5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine has a molecular weight of 379.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 138682287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).