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

C10H9F3N2O2 — CID 59323770

IUPAC4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2ccc(OC(F)(F)F)cc2)CO1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-6(2-4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyUZEUNVSLRJMQNY-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.97
Rot. Bonds2

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

4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323770) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323770
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2ccc(OC(F)(F)F)cc2)CO1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-6(2-4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyUZEUNVSLRJMQNY-UHFFFAOYSA-N
XLogP1.97
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967181
2-Oxazoline, 2-(p-methoxybenzylamino)-
CID 3064028
p-Methoxybenzylbiguanide
CID 548202
1-(4-Methoxybenzyl)guanidine
CID 2835943
(4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966823
(4S)-4-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967910
(4S)-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967914
(4S)-4-[2-[4-fluoro-3-(trifluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967915
(4S)-4-[(2S)-2-[4-(trifluoromethyl)phenoxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45100822
(4S)-4-[2-[4-(trifluoromethyl)phenoxy]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45102446
4-[4-Methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323694
4-(4-Phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323741

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323770) is 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(c2ccc(OC(F)(F)F)cc2)CO1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is UZEUNVSLRJMQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-6(2-4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15).
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 246.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).