1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide

C30H38N4O7S — CID 155672007

About 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide

1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 155672007) has the molecular formula C30H38N4O7S and a molecular weight of 598.72 g/mol. Its IUPAC name is 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide
• PubChem CID: 155672007
• Molecular Formula: C30H38N4O7S
• Molecular Weight: 598.72 g/mol
• Exact Mass: 598.25
• IUPAC Name: 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide
• SMILES: COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2[C@@H](O)N(C2(C(N)=O)CCCC2)[C@H]1O)OC1CCOCC1
• InChI: InChI=1S/C30H38N4O7S/c1-18-23-26(35)34(30(28(31)36)11-5-6-12-30)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-3-4-8-21(20)38-2/h3-4,7-8,13,16,19,22,26,29,35,37H,5-6,9-12,14-15,17H2,1-2H3,(H2,31,36)/t22-,26+,29-/m0/s1
• InChIKey: SOEKSWBQRPNACN-FATZWSQISA-N
• XLogP: 3.84
• TPSA: 143.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.72
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide?

The IUPAC name of 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide (CID 155672007) is 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide is COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2[C@@H](O)N(C2(C(N)=O)CCCC2)[C@H]1O)OC1CCOCC1.

What is the InChIKey of 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide?

The InChIKey is SOEKSWBQRPNACN-FATZWSQISA-N. The full InChI is InChI=1S/C30H38N4O7S/c1-18-23-26(35)34(30(28(31)36)11-5-6-12-30)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-3-4-8-21(20)38-2/h3-4,7-8,13,16,19,22,26,29,35,37H,5-6,9-12,14-15,17H2,1-2H3,(H2,31,36)/t22-,26+,29-/m0/s1.

What are the key properties of 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide?

1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 598.72 g/mol, XLogP of 3.84, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4R)-2,4-dihydroxy-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dihydrothieno[2,3-d]pyrimidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 155672007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).