azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

C59H70N8O15S2 — CID 159277435

About azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid (PubChem CID 159277435) has the molecular formula C59H70N8O15S2 and a molecular weight of 1195.38 g/mol. Its IUPAC name is azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
• PubChem CID: 159277435
• Molecular Formula: C59H70N8O15S2
• Molecular Weight: 1195.38 g/mol
• Exact Mass: 1194.44
• IUPAC Name: azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
• SMILES: C1CNC1.COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCOC1.COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(N)=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCOC1
• InChI: InChI=1S/C28H32N4O7S.C28H31N3O8S.C3H7N/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-13-38-23)14-20(39-17-8-7-12-37-15-17)18-9-5-6-10-19(18)36-4;1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-13-38-23)14-20(39-17-8-7-12-37-15-17)18-9-5-6-10-19(18)36-4;1-2-4-3-1/h5-6,9-11,13,17,20H,7-8,12,14-15H2,1-4H3,(H2,29,34);5-6,9-11,13,17,20H,7-8,12,14-15H2,1-4H3,(H,33,34);4H,1-3H2/t2*17?,20-;/m00./s1
• InChIKey: KYMKHMUGYLUCFE-OGPVUPBXSA-N
• XLogP: 7.29
• TPSA: 287.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1195.38
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?

The IUPAC name of azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid (CID 159277435) is azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid.

What is the SMILES notation for azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?

The canonical SMILES for azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid is C1CNC1.COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCOC1.COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(N)=O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCOC1.

What is the InChIKey of azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?

The InChIKey is KYMKHMUGYLUCFE-OGPVUPBXSA-N. The full InChI is InChI=1S/C28H32N4O7S.C28H31N3O8S.C3H7N/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-13-38-23)14-20(39-17-8-7-12-37-15-17)18-9-5-6-10-19(18)36-4;1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-13-38-23)14-20(39-17-8-7-12-37-15-17)18-9-5-6-10-19(18)36-4;1-2-4-3-1/h5-6,9-11,13,17,20H,7-8,12,14-15H2,1-4H3,(H2,29,34);5-6,9-11,13,17,20H,7-8,12,14-15H2,1-4H3,(H,33,34);4H,1-3H2/t2*17?,20-;/m00./s1.

What are the key properties of azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid?

azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid has a molecular weight of 1195.38 g/mol, XLogP of 7.29, 18 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 159277435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).