(4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole

C16H15NO2 — CID 102142833

IUPAC(4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole
SMILESC(=C/c1ccco1)\C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C16H15NO2/c1-2-5-13(6-3-1)11-14-12-19-16(17-14)9-8-15-7-4-10-18-15/h1-10,14H,11-12H2/b9-8+/t14-/m0/s1
InChIKeyFYHXBQNZECRNLD-VFNNOXKTSA-N
MW253.30 g/mol
LogP3.33
Rot. Bonds4

About (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102142833) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole
PubChem CID102142833
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole
SMILESC(=C/c1ccco1)\C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C16H15NO2/c1-2-5-13(6-3-1)11-14-12-19-16(17-14)9-8-15-7-4-10-18-15/h1-10,14H,11-12H2/b9-8+/t14-/m0/s1
InChIKeyFYHXBQNZECRNLD-VFNNOXKTSA-N
XLogP3.33
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
(4R)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 146013380
(4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 146013490
(4S)-4-benzyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58510227
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
CID 102183101
2-[(E)-2-phenylethenyl]furan
CID 642118
(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 135082755
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
(4S)-4-benzyl-2-[[3,5-bis[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101074951

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole (CID 102142833) is (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole is C(=C/c1ccco1)\C1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FYHXBQNZECRNLD-VFNNOXKTSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-5-13(6-3-1)11-14-12-19-16(17-14)9-8-15-7-4-10-18-15/h1-10,14H,11-12H2/b9-8+/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 253.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102142833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).