(4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

C13H14FN3O2 — CID 145397728

IUPAC(4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1c(F)cccc1[C@H]1COC(NC2=NCCO2)=N1
InChIInChI=1S/C13H14FN3O2/c1-8-9(3-2-4-10(8)14)11-7-19-13(16-11)17-12-15-5-6-18-12/h2-4,11H,5-7H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyGLSBOQBDZFPBAJ-LLVKDONJSA-N
MW263.27 g/mol
LogP1.54
Rot. Bonds1

About (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

(4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 145397728) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID145397728
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1c(F)cccc1[C@H]1COC(NC2=NCCO2)=N1
InChIInChI=1S/C13H14FN3O2/c1-8-9(3-2-4-10(8)14)11-7-19-13(16-11)17-12-15-5-6-18-12/h2-4,11H,5-7H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyGLSBOQBDZFPBAJ-LLVKDONJSA-N
XLogP1.54
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
CID 158585991
(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
CID 146018955
4-(2-cyclohexylethyl)-N-[4-(2-fluoro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 161115165
N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine
CID 18634609
(2R)-2-(3-fluoro-2-methylphenyl)aziridine
CID 55263754
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 20564916
2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 142590984
4-(3-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 138756508
2-methyl-4-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 135228169
8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine
CID 142279492
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
CID 89270556

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 145397728) is (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is Cc1c(F)cccc1[C@H]1COC(NC2=NCCO2)=N1.
What is the InChIKey of (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is GLSBOQBDZFPBAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-9(3-2-4-10(8)14)11-7-19-13(16-11)17-12-15-5-6-18-12/h2-4,11H,5-7H2,1H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 263.27 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 145397728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).