2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

C118H143N21O12S4 — CID 162259763

About 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 162259763) has the molecular formula C118H143N21O12S4 and a molecular weight of 2175.84 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-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: 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• PubChem CID: 162259763
• Molecular Formula: C118H143N21O12S4
• Molecular Weight: 2175.84 g/mol
• Exact Mass: 2174.01
• IUPAC Name: 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• SMILES: C.C.C.C.CN1C[C@@H](Nc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc3c2S(=O)CC3)CCC1=O.Cc1oc(C2CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)nc1-c1ccccc1.Cc1oc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)nc1-c1ccccc1.O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C32H34N6O3S.C31H33N5O3S.C26H31N5O3S.C25H29N5O3S.4CH4/c1-37-20-24(12-13-26(37)39)33-30-29-25(16-19-42(29)40)34-32(36-30)38-17-14-23(15-18-38)31-35-27(21-8-4-2-5-9-21)28(41-31)22-10-6-3-7-11-22;37-40-20-15-25-28(40)29(32-24-13-18-38-19-14-24)35-31(33-25)36-16-11-23(12-17-36)30-34-26(21-7-3-1-4-8-21)27(39-30)22-9-5-2-6-10-22;1-17-22(18-5-3-2-4-6-18)29-25(34-17)19-7-12-31(13-8-19)26-28-21-11-16-35(32)23(21)24(30-26)27-20-9-14-33-15-10-20;1-16-20(17-5-3-2-4-6-17)27-23(33-16)18-7-12-30(13-8-18)24-26-19-9-14-34(32)21(19)22(28-24)29-25(15-31)10-11-25;;;;/h2-11,23-24H,12-20H2,1H3,(H,33,34,36);1-10,23-24H,11-20H2,(H,32,33,35);2-6,19-20H,7-16H2,1H3,(H,27,28,30);2-6,18,31H,7-15H2,1H3,(H,26,28,29);4*1H4/t24-,42?;;;;;;;/m0......./s1
• InChIKey: ZZBRJQSLVVAKMP-LXXXQFGCSA-N
• XLogP: 20.36
• TPSA: 395.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2175.84
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-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 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 162259763) is 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-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 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-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 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is C.C.C.C.CN1C[C@@H](Nc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc3c2S(=O)CC3)CCC1=O.Cc1oc(C2CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)nc1-c1ccccc1.Cc1oc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)nc1-c1ccccc1.O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc(NC3CCOCC3)c21.

What is the InChIKey of 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-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 ZZBRJQSLVVAKMP-LXXXQFGCSA-N. The full InChI is InChI=1S/C32H34N6O3S.C31H33N5O3S.C26H31N5O3S.C25H29N5O3S.4CH4/c1-37-20-24(12-13-26(37)39)33-30-29-25(16-19-42(29)40)34-32(36-30)38-17-14-23(15-18-38)31-35-27(21-8-4-2-5-9-21)28(41-31)22-10-6-3-7-11-22;37-40-20-15-25-28(40)29(32-24-13-18-38-19-14-24)35-31(33-25)36-16-11-23(12-17-36)30-34-26(21-7-3-1-4-8-21)27(39-30)22-9-5-2-6-10-22;1-17-22(18-5-3-2-4-6-18)29-25(34-17)19-7-12-31(13-8-19)26-28-21-11-16-35(32)23(21)24(30-26)27-20-9-14-33-15-10-20;1-16-20(17-5-3-2-4-6-17)27-23(33-16)18-7-12-30(13-8-18)24-26-19-9-14-34(32)21(19)22(28-24)29-25(15-31)10-11-25;;;;/h2-11,23-24H,12-20H2,1H3,(H,33,34,36);1-10,23-24H,11-20H2,(H,32,33,35);2-6,19-20H,7-16H2,1H3,(H,27,28,30);2-6,18,31H,7-15H2,1H3,(H,26,28,29);4*1H4/t24-,42?;;;;;;;/m0......./s1.

What are the key properties of 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol?

2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-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 2175.84 g/mol, XLogP of 20.36, 23 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[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]-1-methylpiperidin-2-one;methane;2-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[4-(5-methyl-4-phenyl-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 162259763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).