5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde

C14H15NO3 — CID 134390229

IUPAC5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(CCCOCc2ccccc2)on1
InChIInChI=1S/C14H15NO3/c16-10-13-9-14(18-15-13)7-4-8-17-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2
InChIKeyFQCCTUSRCZOCEZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.64
Rot. Bonds7

About 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde

5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 134390229) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde
PubChem CID134390229
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(CCCOCc2ccccc2)on1
InChIInChI=1S/C14H15NO3/c16-10-13-9-14(18-15-13)7-4-8-17-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2
InChIKeyFQCCTUSRCZOCEZ-UHFFFAOYSA-N
XLogP2.64
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369
5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
CID 11468831
2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222
(2S)-2-methyl-4-(12-phenylmethoxydodecyl)-2H-furan-5-one
CID 10761842
butoxymethylbenzene;ethane
CID 145341806
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-oxo-5-phenylmethoxypentanal
CID 166844444
3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole
CID 102492503
3-(5-phenylmethoxypentoxy)benzaldehyde
CID 86637621
1-(2-phenylmethoxyethyl)triazole-4-carbaldehyde
CID 130537479
lithium;butoxymethylbenzene;hydride
CID 175482454

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde (CID 134390229) is 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde is O=Cc1cc(CCCOCc2ccccc2)on1.
What is the InChIKey of 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is FQCCTUSRCZOCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-10-13-9-14(18-15-13)7-4-8-17-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2.
What are the key properties of 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde?
5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxypropyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 134390229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).