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

C23H23FN4O2 — CID 42189865

IUPACN-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
SMILESCOc1cc(-c2nc(CN(C)Cc3cccc(-n4cccn4)c3)c(C)o2)ccc1F
InChIInChI=1S/C23H23FN4O2/c1-16-21(26-23(30-16)18-8-9-20(24)22(13-18)29-3)15-27(2)14-17-6-4-7-19(12-17)28-11-5-10-25-28/h4-13H,14-15H2,1-3H3
InChIKeyVYGFRZAQTJSOOT-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.62
Rot. Bonds7

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

N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine (PubChem CID 42189865) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
PubChem CID42189865
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
SMILESCOc1cc(-c2nc(CN(C)Cc3cccc(-n4cccn4)c3)c(C)o2)ccc1F
InChIInChI=1S/C23H23FN4O2/c1-16-21(26-23(30-16)18-8-9-20(24)22(13-18)29-3)15-27(2)14-17-6-4-7-19(12-17)28-11-5-10-25-28/h4-13H,14-15H2,1-3H3
InChIKeyVYGFRZAQTJSOOT-UHFFFAOYSA-N
XLogP4.62
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine
CID 42567777
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 26405916
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 26393221
1-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56870982
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
CID 77094848
4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56855054
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25281519
4-[[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]methyl]-2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 25369217
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 28957160
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 25479030
2-methoxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131952227
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
CID 46995980

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine (CID 42189865) is N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine is COc1cc(-c2nc(CN(C)Cc3cccc(-n4cccn4)c3)c(C)o2)ccc1F.
What is the InChIKey of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
The InChIKey is VYGFRZAQTJSOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-21(26-23(30-16)18-8-9-20(24)22(13-18)29-3)15-27(2)14-17-6-4-7-19(12-17)28-11-5-10-25-28/h4-13H,14-15H2,1-3H3.
What are the key properties of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine has a molecular weight of 406.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 42189865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).