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

C11H11F3N2O — CID 59323625

IUPAC(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-7(2-4-8)5-9-6-17-10(15)16-9/h1-4,9H,5-6H2,(H2,15,16)/t9-/m0/s1
InChIKeyWLAVBKJDYYRISV-VIFPVBQESA-N
MW244.22 g/mol
LogP1.96
Rot. Bonds2

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

(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323625) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323625
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](Cc2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-7(2-4-8)5-9-6-17-10(15)16-9/h1-4,9H,5-6H2,(H2,15,16)/t9-/m0/s1
InChIKeyWLAVBKJDYYRISV-VIFPVBQESA-N
XLogP1.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
CID 24963286
RO-5263397
CID 56835991
(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59824833
(S)-Rexamino
CID 11116360
(4S)-4,5-Dihydro-4-[(2R)-2-phenylbutyl]-2-oxazolamine
CID 24963287
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(S)-4-Benzyl-4,5-dihydrooxazol-2-amine
CID 54333224
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323798
(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323854
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323625) is (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](Cc2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is WLAVBKJDYYRISV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)8-3-1-7(2-4-8)5-9-6-17-10(15)16-9/h1-4,9H,5-6H2,(H2,15,16)/t9-/m0/s1.
What are the key properties of (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 244.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).