N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine

C12H13FN2O — CID 54516373

IUPACN-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C12H13FN2O/c1-2-14-8-12-15-7-11(16-12)9-4-3-5-10(13)6-9/h3-7,14H,2,8H2,1H3
InChIKeyYMRVOVWXNOIGMV-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.59
Rot. Bonds4

About N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine

N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 54516373) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID54516373
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C12H13FN2O/c1-2-14-8-12-15-7-11(16-12)9-4-3-5-10(13)6-9/h3-7,14H,2,8H2,1H3
InChIKeyYMRVOVWXNOIGMV-UHFFFAOYSA-N
XLogP2.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179112
N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 79206694
N-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184286
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178557
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 71864980
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181360
methyl 2-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3-thiophen-2-ylpropanoate
CID 166339673
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 54516373) is N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2cccc(F)c2)o1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is YMRVOVWXNOIGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-14-8-12-15-7-11(16-12)9-4-3-5-10(13)6-9/h3-7,14H,2,8H2,1H3.
What are the key properties of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 54516373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).