N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine

C18H13F2N5O — CID 166272898

IUPACN-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine
SMILESFc1ccccc1-c1nc(CNc2ccn(-c3ncccc3F)n2)co1
InChIInChI=1S/C18H13F2N5O/c19-14-5-2-1-4-13(14)18-23-12(11-26-18)10-22-16-7-9-25(24-16)17-15(20)6-3-8-21-17/h1-9,11H,10H2,(H,22,24)
InChIKeyOJZFYJLSTLYQQM-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.81
Rot. Bonds5

About N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine

N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine (PubChem CID 166272898) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine
PubChem CID166272898
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine
SMILESFc1ccccc1-c1nc(CNc2ccn(-c3ncccc3F)n2)co1
InChIInChI=1S/C18H13F2N5O/c19-14-5-2-1-4-13(14)18-23-12(11-26-18)10-22-16-7-9-25(24-16)17-15(20)6-3-8-21-17/h1-9,11H,10H2,(H,22,24)
InChIKeyOJZFYJLSTLYQQM-UHFFFAOYSA-N
XLogP3.81
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine?
The IUPAC name of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine (CID 166272898) is N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine?
The canonical SMILES for N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine is Fc1ccccc1-c1nc(CNc2ccn(-c3ncccc3F)n2)co1.
What is the InChIKey of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine?
The InChIKey is OJZFYJLSTLYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-14-5-2-1-4-13(14)18-23-12(11-26-18)10-22-16-7-9-25(24-16)17-15(20)6-3-8-21-17/h1-9,11H,10H2,(H,22,24).
What are the key properties of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine?
N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine has a molecular weight of 353.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-fluoro-2-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 166272898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).