N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine

C13H15FN2O — CID 65240105

IUPACN-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-2-6-15-8-11-9-16-17-13(11)10-4-3-5-12(14)7-10/h3-5,7,9,15H,2,6,8H2,1H3
InChIKeyDDTCVIGNLBEFGA-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.98
Rot. Bonds5

About N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine

N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 65240105) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
PubChem CID65240105
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-2-6-15-8-11-9-16-17-13(11)10-4-3-5-12(14)7-10/h3-5,7,9,15H,2,6,8H2,1H3
InChIKeyDDTCVIGNLBEFGA-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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

N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 65239480
N-[[5-(4-bromo-2-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 82973908
N-[[5-(5-bromo-2-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 82974007
N-[[5-(1-methylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65240220
N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65239880
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62460294
N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65237332
ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239931

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine (CID 65240105) is N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1cnoc1-c1cccc(F)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is DDTCVIGNLBEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-6-15-8-11-9-16-17-13(11)10-4-3-5-12(14)7-10/h3-5,7,9,15H,2,6,8H2,1H3.
What are the key properties of N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 234.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65240105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).