4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole

C102H123ClN16O3S — CID 161248671

About 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole

4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole (PubChem CID 161248671) has the molecular formula C102H123ClN16O3S and a molecular weight of 1688.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole
• PubChem CID: 161248671
• Molecular Formula: C102H123ClN16O3S
• Molecular Weight: 1688.73 g/mol
• Exact Mass: 1686.94
• IUPAC Name: 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole
• SMILES: CC(C)c1nccn1-c1ccccc1.CC(C)c1nocc1-c1ccc(Cl)cc1.COc1ccc(-n2ccnc2C(C)C)cc1.COc1ccccc1Cn1ccnc1C(C)C.Cc1ccc(-c2c(C(C)C)ncn2C)cc1.Cc1ccccc1-c1scnc1C(C)C.Cc1nnc(C(C)C)n1-c1ccccc1.Cc1nnc(C(C)C)n1-c1ccccc1
• InChI: InChI=1S/C14H18N2O.C14H18N2.C13H16N2O.C13H15NS.C12H12ClNO.2C12H15N3.C12H14N2/c1-11(2)14-15-8-9-16(14)10-12-6-4-5-7-13(12)17-3;1-10(2)13-14(16(4)9-15-13)12-7-5-11(3)6-8-12;1-10(2)13-14-8-9-15(13)11-4-6-12(16-3)7-5-11;1-9(2)12-13(15-8-14-12)11-7-5-4-6-10(11)3;1-8(2)12-11(7-15-14-12)9-3-5-10(13)6-4-9;2*1-9(2)12-14-13-10(3)15(12)11-7-5-4-6-8-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11/h4-9,11H,10H2,1-3H3;5-10H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3
• InChIKey: VAYZOLMIPNVIIK-UHFFFAOYSA-N
• XLogP: 26.34
• TPSA: 190.08 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1688.73
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?

The IUPAC name of 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole (CID 161248671) is 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole.

What is the SMILES notation for 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?

The canonical SMILES for 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole is CC(C)c1nccn1-c1ccccc1.CC(C)c1nocc1-c1ccc(Cl)cc1.COc1ccc(-n2ccnc2C(C)C)cc1.COc1ccccc1Cn1ccnc1C(C)C.Cc1ccc(-c2c(C(C)C)ncn2C)cc1.Cc1ccccc1-c1scnc1C(C)C.Cc1nnc(C(C)C)n1-c1ccccc1.Cc1nnc(C(C)C)n1-c1ccccc1.

What is the InChIKey of 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?

The InChIKey is VAYZOLMIPNVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C14H18N2.C13H16N2O.C13H15NS.C12H12ClNO.2C12H15N3.C12H14N2/c1-11(2)14-15-8-9-16(14)10-12-6-4-5-7-13(12)17-3;1-10(2)13-14(16(4)9-15-13)12-7-5-11(3)6-8-12;1-10(2)13-14-8-9-15(13)11-4-6-12(16-3)7-5-11;1-9(2)12-13(15-8-14-12)11-7-5-4-6-10(11)3;1-8(2)12-11(7-15-14-12)9-3-5-10(13)6-4-9;2*1-9(2)12-14-13-10(3)15(12)11-7-5-4-6-8-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11/h4-9,11H,10H2,1-3H3;5-10H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;3-8H,1-2H3;2*4-9H,1-3H3;3-10H,1-2H3.

What are the key properties of 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole?

4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole has a molecular weight of 1688.73 g/mol, XLogP of 26.34, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;1-[(2-methoxyphenyl)methyl]-2-propan-2-ylimidazole;1-(4-methoxyphenyl)-2-propan-2-ylimidazole;1-methyl-5-(4-methylphenyl)-4-propan-2-ylimidazole;5-(2-methylphenyl)-4-propan-2-yl-1,3-thiazole;bis(3-methyl-4-phenyl-5-propan-2-yl-1,2,4-triazole);1-phenyl-2-propan-2-ylimidazole is sourced from PubChem (CID 161248671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).