N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine

C15H17F3N2O — CID 65183321

IUPACN-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H17F3N2O/c1-2-8-19-9-7-14-20-10-13(21-14)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,19H,2,7-9H2,1H3
InChIKeyYDXGPESEXJZXMT-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.90
Rot. Bonds6

About N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183321) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183321
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H17F3N2O/c1-2-8-19-9-7-14-20-10-13(21-14)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,19H,2,7-9H2,1H3
InChIKeyYDXGPESEXJZXMT-UHFFFAOYSA-N
XLogP3.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.90
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-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183258
N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183109
N-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184286
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182761
3-[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186872
N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 114909302
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
N-[2-[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182962
N-[2-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182866
3-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187021
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183321) is N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is YDXGPESEXJZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-2-8-19-9-7-14-20-10-13(21-14)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,19H,2,7-9H2,1H3.
What are the key properties of N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).