N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine

C20H18FN5O — CID 56883975

IUPACN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C20H18FN5O/c1-26(13-18-10-19(25-27-18)14-5-7-22-8-6-14)12-16-11-23-24-20(16)15-3-2-4-17(21)9-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyJIDMZFPNKWBIFK-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.90
Rot. Bonds6

About N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 56883975) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
PubChem CID56883975
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC NameN-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C20H18FN5O/c1-26(13-18-10-19(25-27-18)14-5-7-22-8-6-14)12-16-11-23-24-20(16)15-3-2-4-17(21)9-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyJIDMZFPNKWBIFK-UHFFFAOYSA-N
XLogP3.90
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (CID 56883975) is N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is CN(Cc1cc(-c2ccncc2)no1)Cc1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is JIDMZFPNKWBIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-26(13-18-10-19(25-27-18)14-5-7-22-8-6-14)12-16-11-23-24-20(16)15-3-2-4-17(21)9-15/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 363.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 56883975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).