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

C11H11F3N2O2 — CID 59323842

IUPAC(4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(OC(F)(F)F)cc2)COC(N)=N1
InChIInChI=1S/C11H11F3N2O2/c1-10(6-17-9(15)16-10)7-2-4-8(5-3-7)18-11(12,13)14/h2-5H,6H2,1H3,(H2,15,16)/t10-/m1/s1
InChIKeyCMAMNPHNGJYBAM-SNVBAGLBSA-N
MW260.22 g/mol
LogP2.15
Rot. Bonds2

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

(4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine (PubChem CID 59323842) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine
PubChem CID59323842
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name(4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(OC(F)(F)F)cc2)COC(N)=N1
InChIInChI=1S/C11H11F3N2O2/c1-10(6-17-9(15)16-10)7-2-4-8(5-3-7)18-11(12,13)14/h2-5H,6H2,1H3,(H2,15,16)/t10-/m1/s1
InChIKeyCMAMNPHNGJYBAM-SNVBAGLBSA-N
XLogP2.15
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[2-(4-fluoro-3-methoxyphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967181
(4S)-4-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966823
(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
4-[4-Methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323694
4-[4-(Trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323770
(4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323800
4-(4-Methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323876
4-(Difluoromethoxy)-alpha,alpha-dimethylbenzenemethanamine
CID 50986507
(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine
CID 146167633
3-(4-Methoxyphenyl)-3-oxetanamine hydrochloride
CID 53256998
2-(4-(Trifluoromethoxy)phenyl)propan-2-amine hydrochloride
CID 75494282

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine (CID 59323842) is (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine is C[C@]1(c2ccc(OC(F)(F)F)cc2)COC(N)=N1.
What is the InChIKey of (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine?
The InChIKey is CMAMNPHNGJYBAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-10(6-17-9(15)16-10)7-2-4-8(5-3-7)18-11(12,13)14/h2-5H,6H2,1H3,(H2,15,16)/t10-/m1/s1.
What are the key properties of (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine?
(4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine has a molecular weight of 260.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).