5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C42H48BBrF2N14O8 — CID 158512716

About 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 158512716) has the molecular formula C42H48BBrF2N14O8 and a molecular weight of 1005.65 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 158512716
• Molecular Formula: C42H48BBrF2N14O8
• Molecular Weight: 1005.65 g/mol
• Exact Mass: 1004.30
• IUPAC Name: 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: CC1(C)OB(c2ccc(N3C[C@H](CO)OC3=O)cc2F)OC1(C)C.CN(c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cn1)c1nnn(C)n1.CN(c1ccc(Br)cn1)c1nnn(C)n1
• InChI: InChI=1S/C18H18FN7O3.C16H21BFNO5.C8H9BrN6/c1-24(17-21-23-25(2)22-17)16-6-3-11(8-20-16)14-5-4-12(7-15(14)19)26-9-13(10-27)29-18(26)28;1-15(2)16(3,4)24-17(23-15)12-6-5-10(7-13(12)18)19-8-11(9-20)22-14(19)21;1-14(8-11-13-15(2)12-8)7-4-3-6(9)5-10-7/h3-8,13,27H,9-10H2,1-2H3;5-7,11,20H,8-9H2,1-4H3;3-5H,1-2H3/t13-;11-;/m11./s1
• InChIKey: HLGHRRWNFAGFAL-IOAAJXMHSA-N
• XLogP: 4.07
• TPSA: 237.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.65
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 158512716) is 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CC1(C)OB(c2ccc(N3C[C@H](CO)OC3=O)cc2F)OC1(C)C.CN(c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cn1)c1nnn(C)n1.CN(c1ccc(Br)cn1)c1nnn(C)n1.

What is the InChIKey of 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is HLGHRRWNFAGFAL-IOAAJXMHSA-N. The full InChI is InChI=1S/C18H18FN7O3.C16H21BFNO5.C8H9BrN6/c1-24(17-21-23-25(2)22-17)16-6-3-11(8-20-16)14-5-4-12(7-15(14)19)26-9-13(10-27)29-18(26)28;1-15(2)16(3,4)24-17(23-15)12-6-5-10(7-13(12)18)19-8-11(9-20)22-14(19)21;1-14(8-11-13-15(2)12-8)7-4-3-6(9)5-10-7/h3-8,13,27H,9-10H2,1-2H3;5-7,11,20H,8-9H2,1-4H3;3-5H,1-2H3/t13-;11-;/m11./s1.

What are the key properties of 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 1005.65 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-methyl-N-(2-methyltetrazol-5-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[methyl-(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 158512716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).