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

C16H21FN2O — CID 65185138

IUPACN-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H21FN2O/c1-12(2)10-18-9-3-4-16-19-11-15(20-16)13-5-7-14(17)8-6-13/h5-8,11-12,18H,3-4,9-10H2,1-2H3
InChIKeyYKFMHLWLMZXKTO-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.66
Rot. Bonds7

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

N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (PubChem CID 65185138) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
PubChem CID65185138
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC NameN-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H21FN2O/c1-12(2)10-18-9-3-4-16-19-11-15(20-16)13-5-7-14(17)8-6-13/h5-8,11-12,18H,3-4,9-10H2,1-2H3
InChIKeyYKFMHLWLMZXKTO-UHFFFAOYSA-N
XLogP3.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.66
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-methyl-N-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65184743
N-[3-[5-(3,5-difluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184439
N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184536
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184690
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187113
N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184537
2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
CID 65185038
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185137
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181360

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine (CID 65185138) is N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is YKFMHLWLMZXKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12(2)10-18-9-3-4-16-19-11-15(20-16)13-5-7-14(17)8-6-13/h5-8,11-12,18H,3-4,9-10H2,1-2H3.
What are the key properties of N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine?
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 276.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65185138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).