3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

C13H15FN2O — CID 115084370

IUPAC3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2O/c1-15-7-3-6-12-9-17-13(16-12)10-4-2-5-11(14)8-10/h2,4-5,8-9,15H,3,6-7H2,1H3
InChIKeyPCDURXDZZQKCIZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.63
Rot. Bonds5

About 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (PubChem CID 115084370) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
PubChem CID115084370
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2O/c1-15-7-3-6-12-9-17-13(16-12)10-4-2-5-11(14)8-10/h2,4-5,8-9,15H,3,6-7H2,1H3
InChIKeyPCDURXDZZQKCIZ-UHFFFAOYSA-N
XLogP2.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56669444
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
CID 56682804
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66115439
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 112818351
(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide
CID 94025619
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (CID 115084370) is 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is CNCCCc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is PCDURXDZZQKCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-15-7-3-6-12-9-17-13(16-12)10-4-2-5-11(14)8-10/h2,4-5,8-9,15H,3,6-7H2,1H3.
What are the key properties of 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 234.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 115084370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).