5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine

C89H87BrClFN16O4 — CID 167620070

About 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine

5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine (PubChem CID 167620070) has the molecular formula C89H87BrClFN16O4 and a molecular weight of 1579.14 g/mol. Its IUPAC name is 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine
• PubChem CID: 167620070
• Molecular Formula: C89H87BrClFN16O4
• Molecular Weight: 1579.14 g/mol
• Exact Mass: 1576.60
• IUPAC Name: 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine
• SMILES: [C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2Br)CC1.[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2C)CC1.[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2Cl)CC1.[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2F)CC1
• InChI: InChI=1S/C23H24N4O.C22H21BrN4O.C22H21ClN4O.C22H21FN4O/c1-14-7-8-18(21-16(3)26-28-17(21)4)12-20(14)27(6)19-11-15(2)22(25-13-19)23(24-5)9-10-23;3*1-13-6-7-16(20-14(2)26-28-15(20)3)10-19(13)27(5)17-11-18(23)21(25-12-17)22(24-4)8-9-22/h7-8,11-13H,9-10H2,1-4,6H3;3*6-7,10-12H,8-9H2,1-3,5H3
• InChIKey: MHVHUUQZTIEKDO-UHFFFAOYSA-N
• XLogP: 23.22
• TPSA: 186.08 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1579.14
LogP ≤ 5	23.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?

The IUPAC name of 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine (CID 167620070) is 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine.

What is the SMILES notation for 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?

The canonical SMILES for 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine is [C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2Br)CC1.[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2C)CC1.[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2Cl)CC1.[C-]#[N+]C1(c2ncc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2F)CC1.

What is the InChIKey of 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?

The InChIKey is MHVHUUQZTIEKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C22H21BrN4O.C22H21ClN4O.C22H21FN4O/c1-14-7-8-18(21-16(3)26-28-17(21)4)12-20(14)27(6)19-11-15(2)22(25-13-19)23(24-5)9-10-23;3*1-13-6-7-16(20-14(2)26-28-15(20)3)10-19(13)27(5)17-11-18(23)21(25-12-17)22(24-4)8-9-22/h7-8,11-13H,9-10H2,1-4,6H3;3*6-7,10-12H,8-9H2,1-3,5H3.

What are the key properties of 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine?

5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine has a molecular weight of 1579.14 g/mol, XLogP of 23.22, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;5-chloro-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-5-fluoro-6-(1-isocyanocyclopropyl)-N-methylpyridin-3-amine;N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-6-(1-isocyanocyclopropyl)-N,5-dimethylpyridin-3-amine is sourced from PubChem (CID 167620070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).