N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine

C25H24FN3O2 — CID 52886697

IUPACN-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(-c2cnc(CN(CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C25H24FN3O2/c1-30-23-11-7-20(8-12-23)24-16-28-25(31-24)18-29(15-13-22-4-2-3-14-27-22)17-19-5-9-21(26)10-6-19/h2-12,14,16H,13,15,17-18H2,1H3
InChIKeyVOHVFZAKVGRKJZ-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.13
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine

N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 52886697) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID52886697
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(-c2cnc(CN(CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C25H24FN3O2/c1-30-23-11-7-20(8-12-23)24-16-28-25(31-24)18-29(15-13-22-4-2-3-14-27-22)17-19-5-9-21(26)10-6-19/h2-12,14,16H,13,15,17-18H2,1H3
InChIKeyVOHVFZAKVGRKJZ-UHFFFAOYSA-N
XLogP5.13
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine with MolForge

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Related Compounds

N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 167868362
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine
CID 71866080
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 18088834
N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 110245160
1-[3-(difluoromethoxy)phenyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-N-methylmethanamine
CID 48632325
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine (CID 52886697) is N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine is COc1ccc(-c2cnc(CN(CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is VOHVFZAKVGRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-30-23-11-7-20(8-12-23)24-16-28-25(31-24)18-29(15-13-22-4-2-3-14-27-22)17-19-5-9-21(26)10-6-19/h2-12,14,16H,13,15,17-18H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 417.48 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 52886697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).