2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone

C138H121ClFN9O10S3 — CID 157189192

About 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone

2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone (PubChem CID 157189192) has the molecular formula C138H121ClFN9O10S3 and a molecular weight of 2216.19 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone
• PubChem CID: 157189192
• Molecular Formula: C138H121ClFN9O10S3
• Molecular Weight: 2216.19 g/mol
• Exact Mass: 2213.81
• IUPAC Name: 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone
• SMILES: COc1ccc2c(c1)Sc1ccc(C)cc1N2C.Cc1ccc(-c2cn3ccccc3n2)cc1.Cc1ccc(C(=O)c2ccccc2)s1.Cc1ccc(C(=O)c2cccs2)cc1.Cc1ccc(CC2CCCC2=O)cc1.Cc1ccc(N2Cc3ccccc3C2=O)cc1.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2nc(-c3ccc(Cl)cc3)oc2c1.Cc1ccc2nc(-c3ccc(F)cc3)oc2c1.Cc1ccc2ncoc2c1.Cc1nc2ccccc2o1
• InChI: InChI=1S/C15H15NOS.C15H13NO.C14H10ClNO.C14H10FNO.C14H12N2.C13H11NO.C13H16O.2C12H10OS.2C8H7NO/c1-10-4-7-14-13(8-10)16(2)12-6-5-11(17-3)9-15(12)18-14;1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17;2*1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10;1-11-5-7-12(8-6-11)13-10-16-9-3-2-4-14(16)15-13;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14;1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11;1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h4-9H,1-3H3;2-9H,10H2,1H3;2*2-8H,1H3;2-10H,1H3;2-7H,8H2,1H3;5-8,12H,2-4,9H2,1H3;2*2-8H,1H3;2*2-5H,1H3
• InChIKey: APMLXIICXVRYSR-UHFFFAOYSA-N
• XLogP: 35.94
• TPSA: 227.53 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.19
LogP ≤ 5	35.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?

The IUPAC name of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone (CID 157189192) is 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone.

What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?

The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone is COc1ccc2c(c1)Sc1ccc(C)cc1N2C.Cc1ccc(-c2cn3ccccc3n2)cc1.Cc1ccc(C(=O)c2ccccc2)s1.Cc1ccc(C(=O)c2cccs2)cc1.Cc1ccc(CC2CCCC2=O)cc1.Cc1ccc(N2Cc3ccccc3C2=O)cc1.Cc1ccc2c(c1)Cc1cccnc1O2.Cc1ccc2nc(-c3ccc(Cl)cc3)oc2c1.Cc1ccc2nc(-c3ccc(F)cc3)oc2c1.Cc1ccc2ncoc2c1.Cc1nc2ccccc2o1.

What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?

The InChIKey is APMLXIICXVRYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS.C15H13NO.C14H10ClNO.C14H10FNO.C14H12N2.C13H11NO.C13H16O.2C12H10OS.2C8H7NO/c1-10-4-7-14-13(8-10)16(2)12-6-5-11(17-3)9-15(12)18-14;1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15(16)17;2*1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10;1-11-5-7-12(8-6-11)13-10-16-9-3-2-4-14(16)15-13;1-9-4-5-12-11(7-9)8-10-3-2-6-14-13(10)15-12;1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14;1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11;1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h4-9H,1-3H3;2-9H,10H2,1H3;2*2-8H,1H3;2-10H,1H3;2-7H,8H2,1H3;5-8,12H,2-4,9H2,1H3;2*2-8H,1H3;2*2-5H,1H3.

What are the key properties of 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone?

2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone has a molecular weight of 2216.19 g/mol, XLogP of 35.94, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 157189192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).