5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine

C12H14FN3O — CID 117039000

IUPAC5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)Cc1ccccc1F
InChIInChI=1S/C12H14FN3O/c1-16(8-10-6-12(14)15-17-10)7-9-4-2-3-5-11(9)13/h2-6H,7-8H2,1H3,(H2,14,15)
InChIKeyZFRUGAMWBHUZFV-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.03
Rot. Bonds4

About 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine

5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine (PubChem CID 117039000) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
PubChem CID117039000
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
SMILESCN(Cc1cc(N)no1)Cc1ccccc1F
InChIInChI=1S/C12H14FN3O/c1-16(8-10-6-12(14)15-17-10)7-9-4-2-3-5-11(9)13/h2-6H,7-8H2,1H3,(H2,14,15)
InChIKeyZFRUGAMWBHUZFV-UHFFFAOYSA-N
XLogP2.03
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039040
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038908
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656876
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412584
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117038966
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750514
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
3-chloro-2-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63747627

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine (CID 117039000) is 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine is CN(Cc1cc(N)no1)Cc1ccccc1F.
What is the InChIKey of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
The InChIKey is ZFRUGAMWBHUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16(8-10-6-12(14)15-17-10)7-9-4-2-3-5-11(9)13/h2-6H,7-8H2,1H3,(H2,14,15).
What are the key properties of 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine?
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117039000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).