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

C13H15F3N2O — CID 115061053

IUPAC3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-3-9(4-6-10)12-18-11(8-19-12)2-1-7-17/h3-6,11H,1-2,7-8,17H2
InChIKeyNJKQSXKHIZJMQS-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.59
Rot. Bonds4

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

3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115061053) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115061053
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-3-9(4-6-10)12-18-11(8-19-12)2-1-7-17/h3-6,11H,1-2,7-8,17H2
InChIKeyNJKQSXKHIZJMQS-UHFFFAOYSA-N
XLogP2.59
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061055
4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol
CID 136982327
3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060983
3-[2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060984
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-yl]propan-1-amine
CID 115060752
3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060985
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 175669898
(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 154718154
(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323625
[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
CID 115060967
2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine
CID 117311370
(4S)-2-phenyl-4-(2-phenylselanylethyl)-4,5-dihydro-1,3-oxazole
CID 11681470

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (CID 115061053) is 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is NCCCC1COC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is NJKQSXKHIZJMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-5-3-9(4-6-10)12-18-11(8-19-12)2-1-7-17/h3-6,11H,1-2,7-8,17H2.
What are the key properties of 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 272.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115061053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).