(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole

C14H16F3NO — CID 134858563

IUPAC(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
SMILESCC(CCC1=N[C@H](c2ccccc2)CO1)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-10(14(15,16)17)7-8-13-18-12(9-19-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10?,12-/m0/s1
InChIKeyYNMVFWBOSFULSW-KFJBMODSSA-N
MW271.28 g/mol
LogP4.14
Rot. Bonds4

About (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole

(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134858563) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
PubChem CID134858563
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
SMILESCC(CCC1=N[C@H](c2ccccc2)CO1)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-10(14(15,16)17)7-8-13-18-12(9-19-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10?,12-/m0/s1
InChIKeyYNMVFWBOSFULSW-KFJBMODSSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
AG-H-02521
CID 5325154
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
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-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(3R)-3-phenyl-5,7-bis(trifluoromethyl)-2,3-dihydro-1,4-oxazepine
CID 11573147
(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
CID 24795138

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole (CID 134858563) is (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole is CC(CCC1=N[C@H](c2ccccc2)CO1)C(F)(F)F.
What is the InChIKey of (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YNMVFWBOSFULSW-KFJBMODSSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-10(14(15,16)17)7-8-13-18-12(9-19-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10?,12-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 271.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134858563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).