(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine

C10H10F2N2O — CID 59323712

IUPAC(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2cc(F)ccc2F)COC(N)=N1
InChIInChI=1S/C10H10F2N2O/c1-10(5-15-9(13)14-10)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyTYMMYMILCDGLGY-SNVBAGLBSA-N
MW212.20 g/mol
LogP1.52
Rot. Bonds1

About (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine

(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (PubChem CID 59323712) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
PubChem CID59323712
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2cc(F)ccc2F)COC(N)=N1
InChIInChI=1S/C10H10F2N2O/c1-10(5-15-9(13)14-10)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyTYMMYMILCDGLGY-SNVBAGLBSA-N
XLogP1.52
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

RO-5263397
CID 56835991
(S)-Rexamino
CID 11116360
(4S)-4-(2-chlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 24966469
(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-(4-bromophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323826
(4S)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 24966827
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182
(4S)-4-[2-(4-fluoro-3-methylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967909
(4S)-4-[3-(3,5-difluoro-phenyl)-pentyl]-4,5-dihydro-oxazol-2-ylamine
CID 45101104
(4R)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323724

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine (CID 59323712) is (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is C[C@]1(c2cc(F)ccc2F)COC(N)=N1.
What is the InChIKey of (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
The InChIKey is TYMMYMILCDGLGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-10(5-15-9(13)14-10)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine?
(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine has a molecular weight of 212.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).