[1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

C30H31N5O3S — CID 58117772

About [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

[1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 58117772) has the molecular formula C30H31N5O3S and a molecular weight of 541.68 g/mol. Its IUPAC name is [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• PubChem CID: 58117772
• Molecular Formula: C30H31N5O3S
• Molecular Weight: 541.68 g/mol
• Exact Mass: 541.21
• IUPAC Name: [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• SMILES: O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc(NC3(CO)CC3)c21
• InChI: InChI=1S/C30H31N5O3S/c36-19-30(14-15-30)34-27-26-23(13-18-39(26)37)31-29(33-27)35-16-11-22(12-17-35)28-32-24(20-7-3-1-4-8-20)25(38-28)21-9-5-2-6-10-21/h1-10,22,36H,11-19H2,(H,31,33,34)
• InChIKey: UDUMSJPUNZSBNS-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.68
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The IUPAC name of [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 58117772) is [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

What is the SMILES notation for [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The canonical SMILES for [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc(NC3(CO)CC3)c21.

What is the InChIKey of [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

The InChIKey is UDUMSJPUNZSBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3S/c36-19-30(14-15-30)34-27-26-23(13-18-39(26)37)31-29(33-27)35-16-11-22(12-17-35)28-32-24(20-7-3-1-4-8-20)25(38-28)21-9-5-2-6-10-21/h1-10,22,36H,11-19H2,(H,31,33,34).

What are the key properties of [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

[1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol has a molecular weight of 541.68 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is sourced from PubChem (CID 58117772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).