4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde

C18H15NO2 — CID 134961819

IUPAC4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde
SMILESC=C(c1ccc(C=O)cc1)[C@H]1CN=C(c2ccccc2)O1
InChIInChI=1S/C18H15NO2/c1-13(15-9-7-14(12-20)8-10-15)17-11-19-18(21-17)16-5-3-2-4-6-16/h2-10,12,17H,1,11H2/t17-/m1/s1
InChIKeyYHFKXEUOPYFLPZ-QGZVFWFLSA-N
MW277.32 g/mol
LogP3.36
Rot. Bonds4

About 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde

4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde (PubChem CID 134961819) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde
PubChem CID134961819
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde
SMILESC=C(c1ccc(C=O)cc1)[C@H]1CN=C(c2ccccc2)O1
InChIInChI=1S/C18H15NO2/c1-13(15-9-7-14(12-20)8-10-15)17-11-19-18(21-17)16-5-3-2-4-6-16/h2-10,12,17H,1,11H2/t17-/m1/s1
InChIKeyYHFKXEUOPYFLPZ-QGZVFWFLSA-N
XLogP3.36
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
1-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
CID 10799530
Methyl 4-[5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzoate
CID 134960292
4-[5-(Fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 154715179
3-Methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
CID 2806512
Methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
CID 25138489
Methyl 4-(4,5-dihydrooxazol-2-yl)benzoate
CID 10703416
2'-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)biphenyl-4-carbaldehyde
CID 44478316
4-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)benzophenone
CID 70884173
5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one
CID 271845
2-(2,6-Difluorophenyl)-4-(4-formylphenyl)oxazoline
CID 12056636

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde?
The IUPAC name of 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde (CID 134961819) is 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde.
What is the SMILES notation for 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde?
The canonical SMILES for 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde is C=C(c1ccc(C=O)cc1)[C@H]1CN=C(c2ccccc2)O1.
What is the InChIKey of 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde?
The InChIKey is YHFKXEUOPYFLPZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13(15-9-7-14(12-20)8-10-15)17-11-19-18(21-17)16-5-3-2-4-6-16/h2-10,12,17H,1,11H2/t17-/m1/s1.
What are the key properties of 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde?
4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde has a molecular weight of 277.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde is sourced from PubChem (CID 134961819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).