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

C18H15Cl2NO2 — CID 141087712

IUPAC2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1cccc(OCc2nc(-c3cc(Cl)cc(Cl)c3)oc2C)c1
InChIInChI=1S/C18H15Cl2NO2/c1-11-4-3-5-16(6-11)22-10-17-12(2)23-18(21-17)13-7-14(19)9-15(20)8-13/h3-9H,10H2,1-2H3
InChIKeyDEAISZLNOPKEPY-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.84
Rot. Bonds4

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

2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole (PubChem CID 141087712) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole
PubChem CID141087712
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole
SMILESCc1cccc(OCc2nc(-c3cc(Cl)cc(Cl)c3)oc2C)c1
InChIInChI=1S/C18H15Cl2NO2/c1-11-4-3-5-16(6-11)22-10-17-12(2)23-18(21-17)13-7-14(19)9-15(20)8-13/h3-9H,10H2,1-2H3
InChIKeyDEAISZLNOPKEPY-UHFFFAOYSA-N
XLogP5.84
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 10687688
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
CID 141137433
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
2-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11641273
1-[4-[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 54137033
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
CID 64764360
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
3-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoic acid
CID 22273934

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole (CID 141087712) is 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole is Cc1cccc(OCc2nc(-c3cc(Cl)cc(Cl)c3)oc2C)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole?
The InChIKey is DEAISZLNOPKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-11-4-3-5-16(6-11)22-10-17-12(2)23-18(21-17)13-7-14(19)9-15(20)8-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole?
2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole has a molecular weight of 348.23 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole is sourced from PubChem (CID 141087712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).