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

C11H11F3N2O2 — CID 59323800

IUPAC(4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc([C@H]2COC(N)=N2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-17-6-2-3-7(8(4-6)11(12,13)14)9-5-18-10(15)16-9/h2-4,9H,5H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyZXWXVPUCXAXYQY-SECBINFHSA-N
MW260.22 g/mol
LogP2.10
Rot. Bonds2

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

(4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323800) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323800
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name(4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc([C@H]2COC(N)=N2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-17-6-2-3-7(8(4-6)11(12,13)14)9-5-18-10(15)16-9/h2-4,9H,5H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyZXWXVPUCXAXYQY-SECBINFHSA-N
XLogP2.10
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 ≤ 52.10
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
(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
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
4-[4-(Trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323770
4-(4-Methoxy-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323876
[4-Methoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43138648
4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 44193206
4-[4-(difluoromethoxy)-3-methylphenyl]-4-[4-fluoro-3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 44193208

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323800) is (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1ccc([C@H]2COC(N)=N2)c(C(F)(F)F)c1.
What is the InChIKey of (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ZXWXVPUCXAXYQY-SECBINFHSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-17-6-2-3-7(8(4-6)11(12,13)14)9-5-18-10(15)16-9/h2-4,9H,5H2,1H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 260.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).