3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole

C131H162Cl2F3N19O5S4 — CID 158308006

IUPAC3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(-c2cccnc2)no1.CC(C)c1ncc(-c2ccccc2Cl)s1.CC(C)c1ncc(N2CC(C)(F)C2)s1.CC(C)c1ncc(N2CCC(C)(F)CC2)s1.CC(C)c1ncc(N2CCCC(C)(F)C2)s1.Cc1ccc(-c2cc(C(C)C)on2)c(Cl)c1.Cc1ccc(-c2cc(C(C)C)on2)cc1.Cc1ccc(-c2cn(C(C)C)nn2)cc1.Cc1ccc(-c2cnc(C(C)C)[nH]2)cc1
InChIInChI=1S/C13H14ClNO.C13H16N2.C13H15NO.C12H12ClNS.2C12H19FN2S.C12H15N3.C12H13NO.2C11H12N2O.C10H15FN2S/c1-8(2)13-7-12(15-16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-8-12(14-15-13)11-6-4-10(3)5-7-11;1-8(2)12-14-7-11(15-12)9-5-3-4-6-10(9)13;1-9(2)11-14-8-10(16-11)15-6-4-12(3,13)5-7-15;1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15;1-9(2)15-8-12(13-14-15)11-6-4-10(3)5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-6-10(13-14-11)9-4-3-5-12-7-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)9-12-4-8(14-9)13-5-10(3,11)6-13/h4-8H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;3-8H,1-2H3;8-9H,4-7H2,1-3H3;7,9H,4-6,8H2,1-3H3;4-9H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;4,7H,5-6H2,1-3H3
InChIKeyGNIDQARFJAQARS-UHFFFAOYSA-N
MW2339.03 g/mol
LogP38.32
Rot. Bonds22

About 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole

3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole (PubChem CID 158308006) has the molecular formula C131H162Cl2F3N19O5S4 and a molecular weight of 2339.03 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole
PubChem CID158308006
Molecular FormulaC131H162Cl2F3N19O5S4
Molecular Weight2339.03 g/mol
Exact Mass2336.12
IUPAC Name3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(-c2cccnc2)no1.CC(C)c1ncc(-c2ccccc2Cl)s1.CC(C)c1ncc(N2CC(C)(F)C2)s1.CC(C)c1ncc(N2CCC(C)(F)CC2)s1.CC(C)c1ncc(N2CCCC(C)(F)C2)s1.Cc1ccc(-c2cc(C(C)C)on2)c(Cl)c1.Cc1ccc(-c2cc(C(C)C)on2)cc1.Cc1ccc(-c2cn(C(C)C)nn2)cc1.Cc1ccc(-c2cnc(C(C)C)[nH]2)cc1
InChIInChI=1S/C13H14ClNO.C13H16N2.C13H15NO.C12H12ClNS.2C12H19FN2S.C12H15N3.C12H13NO.2C11H12N2O.C10H15FN2S/c1-8(2)13-7-12(15-16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-8-12(14-15-13)11-6-4-10(3)5-7-11;1-8(2)12-14-7-11(15-12)9-5-3-4-6-10(9)13;1-9(2)11-14-8-10(16-11)15-6-4-12(3,13)5-7-15;1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15;1-9(2)15-8-12(13-14-15)11-6-4-10(3)5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-6-10(13-14-11)9-4-3-5-12-7-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)9-12-4-8(14-9)13-5-10(3,11)6-13/h4-8H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;3-8H,1-2H3;8-9H,4-7H2,1-3H3;7,9H,4-6,8H2,1-3H3;4-9H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;4,7H,5-6H2,1-3H3
InChIKeyGNIDQARFJAQARS-UHFFFAOYSA-N
XLogP38.32
TPSA276.60 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002339.03
LogP ≤ 538.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole (CID 158308006) is 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole is CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1cc(-c2cccnc2)no1.CC(C)c1ncc(-c2ccccc2Cl)s1.CC(C)c1ncc(N2CC(C)(F)C2)s1.CC(C)c1ncc(N2CCC(C)(F)CC2)s1.CC(C)c1ncc(N2CCCC(C)(F)C2)s1.Cc1ccc(-c2cc(C(C)C)on2)c(Cl)c1.Cc1ccc(-c2cc(C(C)C)on2)cc1.Cc1ccc(-c2cn(C(C)C)nn2)cc1.Cc1ccc(-c2cnc(C(C)C)[nH]2)cc1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is GNIDQARFJAQARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO.C13H16N2.C13H15NO.C12H12ClNS.2C12H19FN2S.C12H15N3.C12H13NO.2C11H12N2O.C10H15FN2S/c1-8(2)13-7-12(15-16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-8-12(14-15-13)11-6-4-10(3)5-7-11;1-8(2)12-14-7-11(15-12)9-5-3-4-6-10(9)13;1-9(2)11-14-8-10(16-11)15-6-4-12(3,13)5-7-15;1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15;1-9(2)15-8-12(13-14-15)11-6-4-10(3)5-7-11;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)11-6-10(13-14-11)9-4-3-5-12-7-9;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)9-12-4-8(14-9)13-5-10(3,11)6-13/h4-8H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;3-8H,1-2H3;8-9H,4-7H2,1-3H3;7,9H,4-6,8H2,1-3H3;4-9H,1-3H3;3-9H,1-2H3;2*3-8H,1-2H3;4,7H,5-6H2,1-3H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole?
3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 2339.03 g/mol, XLogP of 38.32, 22 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,2-oxazole;5-(2-chlorophenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1H-imidazole;3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(4-methylphenyl)-1-propan-2-yltriazole;3-phenyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;5-propan-2-yl-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 158308006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).