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

C18H14ClNO3 — CID 10687688

IUPAC3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde
SMILESCc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(C=O)c1
InChIInChI=1S/C18H14ClNO3/c1-12-17(11-22-16-4-2-3-13(9-16)10-21)20-18(23-12)14-5-7-15(19)8-6-14/h2-10H,11H2,1H3
InChIKeyORPOXCACWQKTFV-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.69
Rot. Bonds5

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

3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde (PubChem CID 10687688) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde
PubChem CID10687688
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde
SMILESCc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(C=O)c1
InChIInChI=1S/C18H14ClNO3/c1-12-17(11-22-16-4-2-3-13(9-16)10-21)20-18(23-12)14-5-7-15(19)8-6-14/h2-10H,11H2,1H3
InChIKeyORPOXCACWQKTFV-UHFFFAOYSA-N
XLogP4.69
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 54137033
2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 141087712
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(cyclopropylmethoxycarbonyl)amino]acetic acid
CID 46196686
4-[3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,5-dione
CID 173242283
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
3-methoxy-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 141069615
2-[[3-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid
CID 22169888
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-1-one
CID 10572402
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-one
CID 67695187

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The IUPAC name of 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde (CID 10687688) is 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde is Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(C=O)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde?
The InChIKey is ORPOXCACWQKTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-12-17(11-22-16-4-2-3-13(9-16)10-21)20-18(23-12)14-5-7-15(19)8-6-14/h2-10H,11H2,1H3.
What are the key properties of 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde?
3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde has a molecular weight of 327.77 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde is sourced from PubChem (CID 10687688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).