5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole

C18H16ClNO3 — CID 9354227

IUPAC5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
SMILESCOc1cc(C)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClNO3/c1-12-3-8-15(16(9-12)21-2)22-11-18-20-10-17(23-18)13-4-6-14(19)7-5-13/h3-10H,11H2,1-2H3
InChIKeyCHRXOCYQQKGINM-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.89
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole

5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole (PubChem CID 9354227) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
PubChem CID9354227
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
SMILESCOc1cc(C)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClNO3/c1-12-3-8-15(16(9-12)21-2)22-11-18-20-10-17(23-18)13-4-6-14(19)7-5-13/h3-10H,11H2,1-2H3
InChIKeyCHRXOCYQQKGINM-UHFFFAOYSA-N
XLogP4.89
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate
CID 112828219
2-(3-chloropropyl)-5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39416021
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
CID 41459120
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
CID 46446935
5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 39363718
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
CID 29420744
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233
5-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 65179454
3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine
CID 113421381

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole (CID 9354227) is 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole is COc1cc(C)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole?
The InChIKey is CHRXOCYQQKGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-12-3-8-15(16(9-12)21-2)22-11-18-20-10-17(23-18)13-4-6-14(19)7-5-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole has a molecular weight of 329.78 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 9354227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).