(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal

C21H19NO2 — CID 19965609

IUPAC(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal
SMILESCc1oc(-c2ccccc2)nc1CCc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C21H19NO2/c1-16-20(22-21(24-16)19-7-3-2-4-8-19)14-13-18-11-9-17(10-12-18)6-5-15-23/h2-12,15H,13-14H2,1H3/b6-5+
InChIKeyLAGPBQHNYKOXKA-AATRIKPKSA-N
MW317.39 g/mol
LogP4.65
Rot. Bonds6

About (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal

(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal (PubChem CID 19965609) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal
PubChem CID19965609
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal
SMILESCc1oc(-c2ccccc2)nc1CCc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C21H19NO2/c1-16-20(22-21(24-16)19-7-3-2-4-8-19)14-13-18-11-9-17(10-12-18)6-5-15-23/h2-12,15H,13-14H2,1H3/b6-5+
InChIKeyLAGPBQHNYKOXKA-AATRIKPKSA-N
XLogP4.65
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enal
CID 54477659
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]benzaldehyde
CID 14456655
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propylsulfanyl]benzaldehyde
CID 19013418
methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enoate
CID 54227540
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
3-[2,3,6-trifluoro-5-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 173323908
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 72731611
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
(5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione
CID 24840838

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal?
The IUPAC name of (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal (CID 19965609) is (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal is Cc1oc(-c2ccccc2)nc1CCc1ccc(/C=C/C=O)cc1.
What is the InChIKey of (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal?
The InChIKey is LAGPBQHNYKOXKA-AATRIKPKSA-N. The full InChI is InChI=1S/C21H19NO2/c1-16-20(22-21(24-16)19-7-3-2-4-8-19)14-13-18-11-9-17(10-12-18)6-5-15-23/h2-12,15H,13-14H2,1H3/b6-5+.
What are the key properties of (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal?
(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal has a molecular weight of 317.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal is sourced from PubChem (CID 19965609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).