4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde

C18H15NO3 — CID 163982177

IUPAC4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde
SMILESCC(O)c1ccc(-c2cc(-c3ccc(C=O)cc3)on2)cc1
InChIInChI=1S/C18H15NO3/c1-12(21)14-6-8-15(9-7-14)17-10-18(22-19-17)16-4-2-13(11-20)3-5-16/h2-12,21H,1H3
InChIKeySZJAQLKPPKWKPH-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.87
Rot. Bonds4

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

4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde (PubChem CID 163982177) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde
PubChem CID163982177
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde
SMILESCC(O)c1ccc(-c2cc(-c3ccc(C=O)cc3)on2)cc1
InChIInChI=1S/C18H15NO3/c1-12(21)14-6-8-15(9-7-14)17-10-18(22-19-17)16-4-2-13(11-20)3-5-16/h2-12,21H,1H3
InChIKeySZJAQLKPPKWKPH-UHFFFAOYSA-N
XLogP3.87
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde
CID 102390910
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-carbaldehyde
CID 82126942
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 3061216
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
CID 3061223
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
4-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]phenol
CID 135604711
4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
CID 137045534
4-propan-2-ylbenzaldehyde
CID 326
5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 139215074
3-(4-propan-2-ylphenyl)-1,2-oxazole-5-sulfonyl fluoride
CID 165459883
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
3,5-bis[4-(difluoromethoxy)phenyl]-1,2-oxazole
CID 19586361

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde?
The IUPAC name of 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde (CID 163982177) is 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde.
What is the SMILES notation for 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde?
The canonical SMILES for 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde is CC(O)c1ccc(-c2cc(-c3ccc(C=O)cc3)on2)cc1.
What is the InChIKey of 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde?
The InChIKey is SZJAQLKPPKWKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(21)14-6-8-15(9-7-14)17-10-18(22-19-17)16-4-2-13(11-20)3-5-16/h2-12,21H,1H3.
What are the key properties of 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde?
4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde has a molecular weight of 293.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde is sourced from PubChem (CID 163982177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).