6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile

C32H34N4O6S — CID 143752743

About 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile

6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile (PubChem CID 143752743) has the molecular formula C32H34N4O6S and a molecular weight of 602.71 g/mol. Its IUPAC name is 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile
• PubChem CID: 143752743
• Molecular Formula: C32H34N4O6S
• Molecular Weight: 602.71 g/mol
• Exact Mass: 602.22
• IUPAC Name: 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile
• SMILES: COc1ccc(OC)c(-c2nc(CSc3nc(N)c(C)c(-c4ccc(OC[C@@H]5COC(C)(C)O5)cc4)c3C#N)c(C)o2)c1
• InChI: InChI=1S/C32H34N4O6S/c1-18-28(20-7-9-21(10-8-20)39-15-23-16-40-32(3,4)42-23)25(14-33)31(36-29(18)34)43-17-26-19(2)41-30(35-26)24-13-22(37-5)11-12-27(24)38-6/h7-13,23H,15-17H2,1-6H3,(H2,34,36)/t23-/m1/s1
• InChIKey: ADULZXSQHPKVTO-HSZRJFAPSA-N
• XLogP: 6.31
• TPSA: 134.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	602.71
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile?

The IUPAC name of 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile (CID 143752743) is 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile.

What is the SMILES notation for 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile?

The canonical SMILES for 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile is COc1ccc(OC)c(-c2nc(CSc3nc(N)c(C)c(-c4ccc(OC[C@@H]5COC(C)(C)O5)cc4)c3C#N)c(C)o2)c1.

What is the InChIKey of 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile?

The InChIKey is ADULZXSQHPKVTO-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H34N4O6S/c1-18-28(20-7-9-21(10-8-20)39-15-23-16-40-32(3,4)42-23)25(14-33)31(36-29(18)34)43-17-26-19(2)41-30(35-26)24-13-22(37-5)11-12-27(24)38-6/h7-13,23H,15-17H2,1-6H3,(H2,34,36)/t23-/m1/s1.

What are the key properties of 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile?

6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile has a molecular weight of 602.71 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 143752743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).