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

C14H17FN2O — CID 114180016

IUPAC1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ncc(C)o1)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-3-13(11-6-4-5-7-12(11)15)16-9-14-17-8-10(2)18-14/h4-8,13,16H,3,9H2,1-2H3
InChIKeyOTHJAIQWSWKVJH-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.36
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine (PubChem CID 114180016) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
PubChem CID114180016
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1ncc(C)o1)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-3-13(11-6-4-5-7-12(11)15)16-9-14-17-8-10(2)18-14/h4-8,13,16H,3,9H2,1-2H3
InChIKeyOTHJAIQWSWKVJH-UHFFFAOYSA-N
XLogP3.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387884
1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112633068
1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913115
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
CID 112676980
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 112631399
1-(2-chlorophenyl)-1-(2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 122145179
3-[1-(2-fluorophenyl)propylamino]-2-methylpropanenitrile
CID 112676990
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine (CID 114180016) is 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine is CCC(NCc1ncc(C)o1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The InChIKey is OTHJAIQWSWKVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-13(11-6-4-5-7-12(11)15)16-9-14-17-8-10(2)18-14/h4-8,13,16H,3,9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine has a molecular weight of 248.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114180016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).