(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole

C14H15NO2 — CID 10443802

IUPAC(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
SMILESC=CC[C@H]1O[C@H](c2ccccc2)C2=NOC[C@@H]21
InChIInChI=1S/C14H15NO2/c1-2-6-12-11-9-16-15-13(11)14(17-12)10-7-4-3-5-8-10/h2-5,7-8,11-12,14H,1,6,9H2/t11-,12-,14-/m1/s1
InChIKeyHEKCCARZUXWNTP-YRGRVCCFSA-N
MW229.28 g/mol
LogP2.70
Rot. Bonds3

About (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole

(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole (PubChem CID 10443802) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
PubChem CID10443802
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
SMILESC=CC[C@H]1O[C@H](c2ccccc2)C2=NOC[C@@H]21
InChIInChI=1S/C14H15NO2/c1-2-6-12-11-9-16-15-13(11)14(17-12)10-7-4-3-5-8-10/h2-5,7-8,11-12,14H,1,6,9H2/t11-,12-,14-/m1/s1
InChIKeyHEKCCARZUXWNTP-YRGRVCCFSA-N
XLogP2.70
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
CID 10333086
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 571097
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
CID 12996147
(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane
CID 71376459
[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
CID 101198941
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(6S)-6-phenyl-3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole-5-carbaldehyde
CID 102076200
2-(phenoxymethyl)-3-prop-2-enyloxirane
CID 174763273
(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 134984155
3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol
CID 154130862

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
The IUPAC name of (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole (CID 10443802) is (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole.
What is the SMILES notation for (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
The canonical SMILES for (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole is C=CC[C@H]1O[C@H](c2ccccc2)C2=NOC[C@@H]21.
What is the InChIKey of (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
The InChIKey is HEKCCARZUXWNTP-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-6-12-11-9-16-15-13(11)14(17-12)10-7-4-3-5-8-10/h2-5,7-8,11-12,14H,1,6,9H2/t11-,12-,14-/m1/s1.
What are the key properties of (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole has a molecular weight of 229.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole is sourced from PubChem (CID 10443802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).