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

C11H10F4N2O — CID 24966830

IUPAC(4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(C(F)(F)F)cc2F)COC(N)=N1
InChIInChI=1S/C11H10F4N2O/c1-10(5-18-9(16)17-10)7-3-2-6(4-8(7)12)11(13,14)15/h2-4H,5H2,1H3,(H2,16,17)/t10-/m1/s1
InChIKeyBPSDQUCJTVIYHF-SNVBAGLBSA-N
MW262.21 g/mol
LogP2.40
Rot. Bonds1

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

(4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 24966830) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID24966830
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name(4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2ccc(C(F)(F)F)cc2F)COC(N)=N1
InChIInChI=1S/C11H10F4N2O/c1-10(5-18-9(16)17-10)7-3-2-6(4-8(7)12)11(13,14)15/h2-4H,5H2,1H3,(H2,16,17)/t10-/m1/s1
InChIKeyBPSDQUCJTVIYHF-SNVBAGLBSA-N
XLogP2.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

RO-5263397
CID 56835991
(S)-Rexamino
CID 11116360
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(4S)-4-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323758
(4S)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 24966827
(4R)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323724
Rexamino
CID 10654553
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(2,4,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966116

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine (CID 24966830) is (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(c2ccc(C(F)(F)F)cc2F)COC(N)=N1.
What is the InChIKey of (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is BPSDQUCJTVIYHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10F4N2O/c1-10(5-18-9(16)17-10)7-3-2-6(4-8(7)12)11(13,14)15/h2-4H,5H2,1H3,(H2,16,17)/t10-/m1/s1.
What are the key properties of (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 262.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 24966830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).