3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole

C20H14Cl2N2O2S — CID 2745631

IUPAC3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(COc2ccccc2)n1
InChIInChI=1S/C20H14Cl2N2O2S/c1-12-19(20(24-26-12)15-8-7-13(21)9-16(15)22)17-11-27-18(23-17)10-25-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3
InChIKeyUWOOYSPZAYRVNA-UHFFFAOYSA-N
MW417.32 g/mol
LogP6.66
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole

3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 2745631) has the molecular formula C20H14Cl2N2O2S and a molecular weight of 417.32 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID2745631
Molecular FormulaC20H14Cl2N2O2S
Molecular Weight417.32 g/mol
Exact Mass416.02
IUPAC Name3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(COc2ccccc2)n1
InChIInChI=1S/C20H14Cl2N2O2S/c1-12-19(20(24-26-12)15-8-7-13(21)9-16(15)22)17-11-27-18(23-17)10-25-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3
InChIKeyUWOOYSPZAYRVNA-UHFFFAOYSA-N
XLogP6.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.32
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole 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

5-Methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenylisoxazole
CID 2745588
1-[2-Chloro-4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]-2-methylidenebutan-1-one
CID 57396547
5-[5-[2,6-Dichloro-4-(4,5-dimethylthiazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515421
4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 2746445
4-[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
CID 2747347
1-[2-Chloro-4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57393068
3-(2,4-Dichlorophenyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 2745559
4-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 2745593
3-Methyl-5-[7-[4-(2-methylthiazol-4-yl)phenoxy]heptyl]isoxazole
CID 6483426
Ethyl 4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
CID 2744680
Ethyl 4-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxylate
CID 2744698
5-[2-[(3,5-Dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
CID 2745519

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole (CID 2745631) is 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole is Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(COc2ccccc2)n1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is UWOOYSPZAYRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2S/c1-12-19(20(24-26-12)15-8-7-13(21)9-16(15)22)17-11-27-18(23-17)10-25-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 417.32 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 2745631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).