(4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole

C15H19F2NO — CID 145374484

IUPAC(4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCCC(C)C1=N[C@@H](Cc2c(F)cccc2F)CO1
InChIInChI=1S/C15H19F2NO/c1-3-5-10(2)15-18-11(9-19-15)8-12-13(16)6-4-7-14(12)17/h4,6-7,10-11H,3,5,8-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyFBSMIMADLOOTSG-DTIOYNMSSA-N
MW267.32 g/mol
LogP3.74
Rot. Bonds5

About (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 145374484) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID145374484
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name(4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCCC(C)C1=N[C@@H](Cc2c(F)cccc2F)CO1
InChIInChI=1S/C15H19F2NO/c1-3-5-10(2)15-18-11(9-19-15)8-12-13(16)6-4-7-14(12)17/h4,6-7,10-11H,3,5,8-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyFBSMIMADLOOTSG-DTIOYNMSSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AG-H-02521
CID 5325154
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142826
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
1-(2,4-Difluorophenyl)-3-methoxypropan-2-amine
CID 62196901
1-(2,4-Difluorophenyl)-3-ethoxypropan-2-amine
CID 65668269
(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984930
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
2-(2-Phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
CID 134938644

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole (CID 145374484) is (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole is CCCC(C)C1=N[C@@H](Cc2c(F)cccc2F)CO1.
What is the InChIKey of (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FBSMIMADLOOTSG-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-3-5-10(2)15-18-11(9-19-15)8-12-13(16)6-4-7-14(12)17/h4,6-7,10-11H,3,5,8-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 267.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2,6-difluorophenyl)methyl]-2-pentan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 145374484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).