(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

C88H81F8N13O11 — CID 159704543

About (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159704543) has the molecular formula C88H81F8N13O11 and a molecular weight of 1648.68 g/mol. Its IUPAC name is (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159704543
• Molecular Formula: C88H81F8N13O11
• Molecular Weight: 1648.68 g/mol
• Exact Mass: 1647.61
• IUPAC Name: (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
• SMILES: COc1ccc(-c2onc3c2CN(C(=O)Nc2cc(C)c(F)c(F)c2)[C@@H](C)C3)cc1.COc1cccc(-c2onc3c2CN(C(=O)Nc2cc(C)c(F)c(F)c2)[C@@H](C)C3)c1.COc1ccccc1-c1onc2c1CN(C(=O)Nc1cc(C)c(F)c(F)c1)[C@@H](C)C2.[C-]#[N+]c1cccc(-c2onc3c2CN(C(=O)Nc2cc(C)c(F)c(F)c2)[C@@H](C)C3)c1
• InChI: InChI=1S/C22H18F2N4O2.3C22H21F2N3O3/c1-12-7-16(10-18(23)20(12)24)26-22(29)28-11-17-19(8-13(28)2)27-30-21(17)14-5-4-6-15(9-14)25-3;1-12-8-15(10-18(23)20(12)24)25-22(28)27-11-17-19(9-13(27)2)26-30-21(17)14-4-6-16(29-3)7-5-14;1-12-7-15(10-18(23)20(12)24)25-22(28)27-11-17-19(8-13(27)2)26-30-21(17)14-5-4-6-16(9-14)29-3;1-12-8-14(10-17(23)20(12)24)25-22(28)27-11-16-18(9-13(27)2)26-30-21(16)15-6-4-5-7-19(15)29-3/h4-7,9-10,13H,8,11H2,1-2H3,(H,26,29);4-8,10,13H,9,11H2,1-3H3,(H,25,28);4-7,9-10,13H,8,11H2,1-3H3,(H,25,28);4-8,10,13H,9,11H2,1-3H3,(H,25,28)/t4*13-/m0000/s1
• InChIKey: MYAVDZOAFYIRDH-LWFMPLDYSA-N
• XLogP: 20.20
• TPSA: 265.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1648.68
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 159704543) is (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is COc1ccc(-c2onc3c2CN(C(=O)Nc2cc(C)c(F)c(F)c2)[C@@H](C)C3)cc1.COc1cccc(-c2onc3c2CN(C(=O)Nc2cc(C)c(F)c(F)c2)[C@@H](C)C3)c1.COc1ccccc1-c1onc2c1CN(C(=O)Nc1cc(C)c(F)c(F)c1)[C@@H](C)C2.[C-]#[N+]c1cccc(-c2onc3c2CN(C(=O)Nc2cc(C)c(F)c(F)c2)[C@@H](C)C3)c1.

What is the InChIKey of (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is MYAVDZOAFYIRDH-LWFMPLDYSA-N. The full InChI is InChI=1S/C22H18F2N4O2.3C22H21F2N3O3/c1-12-7-16(10-18(23)20(12)24)26-22(29)28-11-17-19(8-13(28)2)27-30-21(17)14-5-4-6-15(9-14)25-3;1-12-8-15(10-18(23)20(12)24)25-22(28)27-11-17-19(9-13(27)2)26-30-21(17)14-4-6-16(29-3)7-5-14;1-12-7-15(10-18(23)20(12)24)25-22(28)27-11-17-19(8-13(27)2)26-30-21(17)14-5-4-6-16(9-14)29-3;1-12-8-14(10-17(23)20(12)24)25-22(28)27-11-16-18(9-13(27)2)26-30-21(16)15-6-4-5-7-19(15)29-3/h4-7,9-10,13H,8,11H2,1-2H3,(H,26,29);4-8,10,13H,9,11H2,1-3H3,(H,25,28);4-7,9-10,13H,8,11H2,1-3H3,(H,25,28);4-8,10,13H,9,11H2,1-3H3,(H,25,28)/t4*13-/m0000/s1.

What are the key properties of (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?

(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1648.68 g/mol, XLogP of 20.20, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159704543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).