(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol

C16H18F3NO2 — CID 24795138

IUPAC(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
SMILESC=CCCCC1=N[C@H](c2ccccc2)CO[C@@]1(O)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c1-2-3-5-10-14-15(21,16(17,18)19)22-11-13(20-14)12-8-6-4-7-9-12/h2,4,6-9,13,21H,1,3,5,10-11H2/t13-,15+/m0/s1
InChIKeyUOMXPFSKKSAKNK-DZGCQCFKSA-N
MW313.32 g/mol
LogP3.81
Rot. Bonds5

About (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol

(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol (PubChem CID 24795138) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol.

Molecular Properties

Compound Name(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
PubChem CID24795138
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
SMILESC=CCCCC1=N[C@H](c2ccccc2)CO[C@@]1(O)C(F)(F)F
InChIInChI=1S/C16H18F3NO2/c1-2-3-5-10-14-15(21,16(17,18)19)22-11-13(20-14)12-8-6-4-7-9-12/h2,4,6-9,13,21H,1,3,5,10-11H2/t13-,15+/m0/s1
InChIKeyUOMXPFSKKSAKNK-DZGCQCFKSA-N
XLogP3.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol with MolForge

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Related Compounds

(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
2-[4-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol
CID 71003670
3-[4-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
CID 71193891
(4S)-2-(Difluoromethyl)-4-phenyl-2-oxazoline
CID 102448797
2-(1,1-Difluoropropan-2-ylideneamino)-2-phenylethanol
CID 118326811
(3S)-3-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazin-1-ium
CID 145011968
2-(Difluoromethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 161413892
ethyl 3,3,3-trifluoro-2-[(1S)-2-hydroxy-1-phenylethyl]iminopropanoate
CID 168173998
2-Phenyl-2-(2,2,2-trifluoro-1-phenyl-ethylideneamino)-ethanol
CID 3416301
2-(1,3-Difluoropropan-2-ylideneamino)-2-phenylethanol
CID 10878500
(2R)-2-phenyl-2-(1,1,1-trifluoropropan-2-ylideneamino)ethanol
CID 16083870
(3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
CID 24797115

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
The IUPAC name of (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol (CID 24795138) is (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol.
What is the SMILES notation for (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
The canonical SMILES for (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol is C=CCCCC1=N[C@H](c2ccccc2)CO[C@@]1(O)C(F)(F)F.
What is the InChIKey of (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
The InChIKey is UOMXPFSKKSAKNK-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-2-3-5-10-14-15(21,16(17,18)19)22-11-13(20-14)12-8-6-4-7-9-12/h2,4,6-9,13,21H,1,3,5,10-11H2/t13-,15+/m0/s1.
What are the key properties of (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol has a molecular weight of 313.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol is sourced from PubChem (CID 24795138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).