ethane;5-phenyl-1,2-oxazole-3-carbaldehyde

C12H13NO2 — CID 144767511

IUPACethane;5-phenyl-1,2-oxazole-3-carbaldehyde
SMILESCC.O=Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C10H7NO2.C2H6/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8;1-2/h1-7H;1-2H3
InChIKeySFJIXLMDGPCOHQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.18
Rot. Bonds2

About ethane;5-phenyl-1,2-oxazole-3-carbaldehyde

ethane;5-phenyl-1,2-oxazole-3-carbaldehyde (PubChem CID 144767511) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethane;5-phenyl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Nameethane;5-phenyl-1,2-oxazole-3-carbaldehyde
PubChem CID144767511
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethane;5-phenyl-1,2-oxazole-3-carbaldehyde
SMILESCC.O=Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C10H7NO2.C2H6/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8;1-2/h1-7H;1-2H3
InChIKeySFJIXLMDGPCOHQ-UHFFFAOYSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.18
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

5-(4-tert-butylphenyl)-1,2-oxazole-3-carbaldehyde
CID 28808464
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde
CID 178138249
2-(5-phenyl-1,2-oxazol-3-yl)benzaldehyde
CID 18357596
(R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methylidene]propane-2-sulfinamide
CID 123995263
4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde
CID 102390910
tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-phenyl-1,2-oxazole-3-carbaldehyde
CID 161386407
3-methylsulfanyl-5-phenyl-1,2-oxazole
CID 5325023
ethane;5-phenylfuran-3-carbaldehyde
CID 143257952
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
CID 170889270

Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of ethane;5-phenyl-1,2-oxazole-3-carbaldehyde (CID 144767511) is ethane;5-phenyl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for ethane;5-phenyl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for ethane;5-phenyl-1,2-oxazole-3-carbaldehyde is CC.O=Cc1cc(-c2ccccc2)on1.
What is the InChIKey of ethane;5-phenyl-1,2-oxazole-3-carbaldehyde?
The InChIKey is SFJIXLMDGPCOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C2H6/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8;1-2/h1-7H;1-2H3.
What are the key properties of ethane;5-phenyl-1,2-oxazole-3-carbaldehyde?
ethane;5-phenyl-1,2-oxazole-3-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 144767511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).