3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one

C98H89F6N17O12S2 — CID 159445462

About 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one

3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one (PubChem CID 159445462) has the molecular formula C98H89F6N17O12S2 and a molecular weight of 1875.02 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one
• PubChem CID: 159445462
• Molecular Formula: C98H89F6N17O12S2
• Molecular Weight: 1875.02 g/mol
• Exact Mass: 1873.62
• IUPAC Name: 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one
• SMILES: CN(C)CCN(C)c1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1.CN1CCN(c2ccc3cc(-c4nc(C(F)(F)F)cs4)c(=O)oc3c2)CC1.Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1noc(-c2ccccc2)n1
• InChI: InChI=1S/C21H18N4O3.C21H20N4O2.C21H21N3O3.C18H16F3N3O2S.C17H14F3N3O2S/c26-21-17(19-23-20(28-24-19)14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)27-21)25-10-8-22-9-11-25;1-14-2-5-20-23-18(13-25(20)12-14)17-10-15-3-4-16(11-19(15)27-21(17)26)24-8-6-22-7-9-24;1-23(2)10-11-24(3)15-9-8-14-12-16(21(25)27-19(14)13-15)20-22-17-6-4-5-7-18(17)26-20;1-23-4-6-24(7-5-23)12-3-2-11-8-13(17(25)26-14(11)9-12)16-22-15(10-27-16)18(19,20)21;18-17(19,20)14-9-26-15(22-14)12-7-10-1-2-11(8-13(10)25-16(12)24)23-5-3-21-4-6-23/h1-7,12-13,22H,8-11H2;2-5,10-13,22H,6-9H2,1H3;4-9,12-13H,10-11H2,1-3H3;2-3,8-10H,4-7H2,1H3;1-2,7-9,21H,3-6H2
• InChIKey: LSRZOPRKQLXNBF-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 317.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.02
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one?

The IUPAC name of 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one (CID 159445462) is 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one.

What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one?

The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one is CN(C)CCN(C)c1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1.CN1CCN(c2ccc3cc(-c4nc(C(F)(F)F)cs4)c(=O)oc3c2)CC1.Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1noc(-c2ccccc2)n1.

What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one?

The InChIKey is LSRZOPRKQLXNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3.C21H20N4O2.C21H21N3O3.C18H16F3N3O2S.C17H14F3N3O2S/c26-21-17(19-23-20(28-24-19)14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)27-21)25-10-8-22-9-11-25;1-14-2-5-20-23-18(13-25(20)12-14)17-10-15-3-4-16(11-19(15)27-21(17)26)24-8-6-22-7-9-24;1-23(2)10-11-24(3)15-9-8-14-12-16(21(25)27-19(14)13-15)20-22-17-6-4-5-7-18(17)26-20;1-23-4-6-24(7-5-23)12-3-2-11-8-13(17(25)26-14(11)9-12)16-22-15(10-27-16)18(19,20)21;18-17(19,20)14-9-26-15(22-14)12-7-10-1-2-11(8-13(10)25-16(12)24)23-5-3-21-4-6-23/h1-7,12-13,22H,8-11H2;2-5,10-13,22H,6-9H2,1H3;4-9,12-13H,10-11H2,1-3H3;2-3,8-10H,4-7H2,1H3;1-2,7-9,21H,3-6H2.

What are the key properties of 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one?

3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one has a molecular weight of 1875.02 g/mol, XLogP of 16.38, 14 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one;3-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]chromen-2-one is sourced from PubChem (CID 159445462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).