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

C10H9F3N2O — CID 24100

IUPAC5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyNMGYDYBWRZHLHR-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.09
Rot. Bonds1

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

5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24100) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24100
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyNMGYDYBWRZHLHR-UHFFFAOYSA-N
XLogP2.09
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Aminorex
CID 16630
4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
4,4'-Dimethylaminorex
CID 20741615
(4S,5R)-4-Methylaminorex
CID 3058692
4-Methylaminorex, (4S,5S)-
CID 214156
(4S)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967547
(4S)-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967553
(S)-4-[(S)-1-(4-Fluoro-phenyl)-ethoxymethyl]-4,5-dihydro-oxazol-2-ylamine
CID 45101107
(4R,5R)-4-Methylaminorex
CID 15560173
4-Methylaminorex, (4R,5S)-
CID 3058503
Oxazolidine, 2-imino-4-methyl-5-phenyl-, hydrobromide (Z)-(+-)-
CID 3058502
4,4'-Dimethylaminorex, cis-
CID 119058040

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24100) is 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NCC(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is NMGYDYBWRZHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H2,14,15).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 230.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).