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

C18H17NO — CID 102142832

IUPAC(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESC(=C/c1ccccc1)\C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C18H17NO/c1-3-7-15(8-4-1)11-12-18-19-17(14-20-18)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1
InChIKeyKXBUEGYIGCYJIV-FLVLSHQESA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds4

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

(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102142832) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
PubChem CID102142832
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESC(=C/c1ccccc1)\C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C18H17NO/c1-3-7-15(8-4-1)11-12-18-19-17(14-20-18)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1
InChIKeyKXBUEGYIGCYJIV-FLVLSHQESA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142833
(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
3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 174694960
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
(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
(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
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11049225
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
(4S)-4-benzyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58510227

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (CID 102142832) is (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is C(=C/c1ccccc1)\C1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KXBUEGYIGCYJIV-FLVLSHQESA-N. The full InChI is InChI=1S/C18H17NO/c1-3-7-15(8-4-1)11-12-18-19-17(14-20-18)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 263.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102142832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).