(1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine

C60H60F6N14O12 — CID 160784328

About (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine

(1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine (PubChem CID 160784328) has the molecular formula C60H60F6N14O12 and a molecular weight of 1283.21 g/mol. Its IUPAC name is (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine.

Molecular Properties

• Compound Name: (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine
• PubChem CID: 160784328
• Molecular Formula: C60H60F6N14O12
• Molecular Weight: 1283.21 g/mol
• Exact Mass: 1282.44
• IUPAC Name: (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine
• SMILES: Cc1noc2c1CN1C[C@H](C2)n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O.Cc1noc2c1CNC[C@@H](N)C2.Cc1noc2c1C[C@H](N)CNC2.Cc1noc2c1C[C@H]1CN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn21
• InChI: InChI=1S/2C22H17F3N4O5.2C8H13N3O/c1-9-13-7-28-6-11(4-17(13)34-27-9)29-8-14(19(30)20(31)18(29)22(28)33)21(32)26-5-12-15(24)2-10(23)3-16(12)25;1-9-12-4-11-6-28(8-17(12)34-27-9)22(33)18-20(31)19(30)14(7-29(11)18)21(32)26-5-13-15(24)2-10(23)3-16(13)25;1-5-7-4-10-3-6(9)2-8(7)12-11-5;1-5-7-2-6(9)3-10-4-8(7)12-11-5/h2-3,8,11,31H,4-7H2,1H3,(H,26,32);2-3,7,11,31H,4-6,8H2,1H3,(H,26,32);2*6,10H,2-4,9H2,1H3/t2*11-;2*6-/m0000/s1
• InChIKey: SAZTUMNOLTVGAH-IOPRRERSSA-N
• XLogP: 3.81
• TPSA: 363.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1283.21
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine?

The IUPAC name of (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine (CID 160784328) is (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine.

What is the SMILES notation for (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine?

The canonical SMILES for (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine is Cc1noc2c1CN1C[C@H](C2)n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O.Cc1noc2c1CNC[C@@H](N)C2.Cc1noc2c1C[C@H](N)CNC2.Cc1noc2c1C[C@H]1CN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn21.

What is the InChIKey of (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine?

The InChIKey is SAZTUMNOLTVGAH-IOPRRERSSA-N. The full InChI is InChI=1S/2C22H17F3N4O5.2C8H13N3O/c1-9-13-7-28-6-11(4-17(13)34-27-9)29-8-14(19(30)20(31)18(29)22(28)33)21(32)26-5-12-15(24)2-10(23)3-16(12)25;1-9-12-4-11-6-28(8-17(12)34-27-9)22(33)18-20(31)19(30)14(7-29(11)18)21(32)26-5-13-15(24)2-10(23)3-16(13)25;1-5-7-4-10-3-6(9)2-8(7)12-11-5;1-5-7-2-6(9)3-10-4-8(7)12-11-5/h2-3,8,11,31H,4-7H2,1H3,(H,26,32);2-3,7,11,31H,4-6,8H2,1H3,(H,26,32);2*6,10H,2-4,9H2,1H3/t2*11-;2*6-/m0000/s1.

What are the key properties of (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine?

(1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine has a molecular weight of 1283.21 g/mol, XLogP of 3.81, 6 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-6-hydroxy-12-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-14-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),12-tetraene-4-carboxamide;(1S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9,13-triazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11(15),13-tetraene-4-carboxamide;(5S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-5-amine;(7S)-3-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-7-amine is sourced from PubChem (CID 160784328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).