4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde

C18H14ClNO3 — CID 174424992

IUPAC4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(-c3ccc(Cl)cc3)oc2C)ccc1C=O
InChIInChI=1S/C18H14ClNO3/c1-11-17(13-3-4-14(10-21)16(9-13)22-2)20-18(23-11)12-5-7-15(19)8-6-12/h3-10H,1-2H3
InChIKeyLPNRLERUYLHZHM-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.79
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde

4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde (PubChem CID 174424992) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde
PubChem CID174424992
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(-c3ccc(Cl)cc3)oc2C)ccc1C=O
InChIInChI=1S/C18H14ClNO3/c1-11-17(13-3-4-14(10-21)16(9-13)22-2)20-18(23-11)12-5-7-15(19)8-6-12/h3-10H,1-2H3
InChIKeyLPNRLERUYLHZHM-UHFFFAOYSA-N
XLogP4.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde?
The IUPAC name of 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde (CID 174424992) is 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde?
The canonical SMILES for 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde is COc1cc(-c2nc(-c3ccc(Cl)cc3)oc2C)ccc1C=O.
What is the InChIKey of 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde?
The InChIKey is LPNRLERUYLHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-11-17(13-3-4-14(10-21)16(9-13)22-2)20-18(23-11)12-5-7-15(19)8-6-12/h3-10H,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde?
4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde has a molecular weight of 327.77 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-methoxybenzaldehyde is sourced from PubChem (CID 174424992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).