4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde

C21H17NO4 — CID 18003567

IUPAC4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(C=O)c2occc12
InChIInChI=1S/C21H17NO4/c1-14-18(22-21(26-14)15-5-3-2-4-6-15)10-12-24-19-8-7-16(13-23)20-17(19)9-11-25-20/h2-9,11,13H,10,12H2,1H3
InChIKeyWPTJTIFMBBNBPY-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.83
Rot. Bonds6

About 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde

4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde (PubChem CID 18003567) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde
PubChem CID18003567
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(C=O)c2occc12
InChIInChI=1S/C21H17NO4/c1-14-18(22-21(26-14)15-5-3-2-4-6-15)10-12-24-19-8-7-16(13-23)20-17(19)9-11-25-20/h2-9,11,13H,10,12H2,1H3
InChIKeyWPTJTIFMBBNBPY-UHFFFAOYSA-N
XLogP4.83
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 23352159
2-[(4-methoxyphenyl)methoxy]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzaldehyde
CID 18003549
(E)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]prop-2-enoic acid
CID 66700012
(Z)-3-methoxy-4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]but-3-en-2-one
CID 58995439
5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85319247
(Z)-2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]prop-2-enoic acid
CID 18003480
5-methyl-4-[2-[(7-nitro-1-benzothiophen-4-yl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 15485664
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
CID 10385776
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
CID 18003621
4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 141010481

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde?
The IUPAC name of 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde (CID 18003567) is 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde is Cc1oc(-c2ccccc2)nc1CCOc1ccc(C=O)c2occc12.
What is the InChIKey of 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde?
The InChIKey is WPTJTIFMBBNBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-14-18(22-21(26-14)15-5-3-2-4-6-15)10-12-24-19-8-7-16(13-23)20-17(19)9-11-25-20/h2-9,11,13H,10,12H2,1H3.
What are the key properties of 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde?
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde has a molecular weight of 347.37 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 18003567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).