N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine

C22H21FN4O — CID 29105766

IUPACN-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
SMILESCN(Cc1cc(-c2ccccc2)on1)Cc1cn(C)nc1-c1ccccc1F
InChIInChI=1S/C22H21FN4O/c1-26(15-18-12-21(28-25-18)16-8-4-3-5-9-16)13-17-14-27(2)24-22(17)19-10-6-7-11-20(19)23/h3-12,14H,13,15H2,1-2H3
InChIKeyOWZOHESHBFZIBB-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.51
Rot. Bonds6

About N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine

N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine (PubChem CID 29105766) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
PubChem CID29105766
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
SMILESCN(Cc1cc(-c2ccccc2)on1)Cc1cn(C)nc1-c1ccccc1F
InChIInChI=1S/C22H21FN4O/c1-26(15-18-12-21(28-25-18)16-8-4-3-5-9-16)13-17-14-27(2)24-22(17)19-10-6-7-11-20(19)23/h3-12,14H,13,15H2,1-2H3
InChIKeyOWZOHESHBFZIBB-UHFFFAOYSA-N
XLogP4.51
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-isoxazol-5-ylphenyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 24790939
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
N-Ethyl-N-{2-[3-(5-fluoropyridin-2-yl)-1,2-oxazol-5-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007219
5-fluoro-3-(1-(6-(1-methyl-1 H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)benzo[d]isoxazole
CID 71585294
5-Amino-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 137632798
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3238250
5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3244953
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5093515
(1-isoxazol-3-ylethyl){[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}methylamine
CID 16189977
(1-isoxazol-3-ylethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190753
6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1-methyl-6,7-dihydro-5H-indazol-4-one
CID 44441219

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine (CID 29105766) is N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine is CN(Cc1cc(-c2ccccc2)on1)Cc1cn(C)nc1-c1ccccc1F.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
The InChIKey is OWZOHESHBFZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-26(15-18-12-21(28-25-18)16-8-4-3-5-9-16)13-17-14-27(2)24-22(17)19-10-6-7-11-20(19)23/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine?
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine has a molecular weight of 376.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 29105766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).