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

C20H18FN5O — CID 56894384

IUPACN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C20H18FN5O/c1-25(14-18-12-19(24-27-18)15-5-8-22-9-6-15)13-16-11-17(21)3-4-20(16)26-10-2-7-23-26/h2-12H,13-14H2,1H3
InChIKeyATJPNCCWTHPUNX-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.69
Rot. Bonds6

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

N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 56894384) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
PubChem CID56894384
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC NameN-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C20H18FN5O/c1-25(14-18-12-19(24-27-18)15-5-8-22-9-6-15)13-16-11-17(21)3-4-20(16)26-10-2-7-23-26/h2-12H,13-14H2,1H3
InChIKeyATJPNCCWTHPUNX-UHFFFAOYSA-N
XLogP3.69
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (CID 56894384) is N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is CN(Cc1cc(-c2ccncc2)no1)Cc1cc(F)ccc1-n1cccn1.
What is the InChIKey of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is ATJPNCCWTHPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-25(14-18-12-19(24-27-18)15-5-8-22-9-6-15)13-16-11-17(21)3-4-20(16)26-10-2-7-23-26/h2-12H,13-14H2,1H3.
What are the key properties of N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
N-[(5-fluoro-2-pyrazol-1-ylphenyl)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 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 56894384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).