N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine

C88H60Cl4F10N14O9 — CID 158234971

About N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine

N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 158234971) has the molecular formula C88H60Cl4F10N14O9 and a molecular weight of 1789.33 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine
• PubChem CID: 158234971
• Molecular Formula: C88H60Cl4F10N14O9
• Molecular Weight: 1789.33 g/mol
• Exact Mass: 1786.33
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine
• SMILES: CC(F)(F)C(F)(F)Oc1cccc(Nc2noc3c(F)cccc23)c1.COc1ccc(Nc2noc3c(F)cccc23)cc1Cl.Cc1ccc(Nc2noc3c(F)cccc23)cc1Cl.Cc1ccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)nc1.Fc1cccc(Nc2noc3c(F)cccc23)c1.Fc1cccc2c(Nc3cccc(Cl)c3)noc12
• InChI: InChI=1S/C18H13ClN4O2.C16H11F5N2O2.C14H10ClFN2O2.C14H10ClFN2O.C13H8ClFN2O.C13H8F2N2O/c1-11-4-7-16(21-10-11)24-14-6-5-12(9-13(14)19)22-18-17-15(25-23-18)3-2-8-20-17;1-15(18,19)16(20,21)24-10-5-2-4-9(8-10)22-14-11-6-3-7-12(17)13(11)25-23-14;1-19-12-6-5-8(7-10(12)15)17-14-9-3-2-4-11(16)13(9)20-18-14;1-8-5-6-9(7-11(8)15)17-14-10-3-2-4-12(16)13(10)19-18-14;2*14-8-3-1-4-9(7-8)16-13-10-5-2-6-11(15)12(10)18-17-13/h2-10H,1H3,(H,22,23);2-8H,1H3,(H,22,23);2-7H,1H3,(H,17,18);2-7H,1H3,(H,17,18);2*1-7H,(H,16,17)
• InChIKey: GEVRTTIIRSKTEB-UHFFFAOYSA-N
• XLogP: 27.71
• TPSA: 281.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1789.33
LogP ≤ 5	27.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine?

The IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine (CID 158234971) is N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine.

What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine?

The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine is CC(F)(F)C(F)(F)Oc1cccc(Nc2noc3c(F)cccc23)c1.COc1ccc(Nc2noc3c(F)cccc23)cc1Cl.Cc1ccc(Nc2noc3c(F)cccc23)cc1Cl.Cc1ccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)nc1.Fc1cccc(Nc2noc3c(F)cccc23)c1.Fc1cccc2c(Nc3cccc(Cl)c3)noc12.

What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine?

The InChIKey is GEVRTTIIRSKTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2.C16H11F5N2O2.C14H10ClFN2O2.C14H10ClFN2O.C13H8ClFN2O.C13H8F2N2O/c1-11-4-7-16(21-10-11)24-14-6-5-12(9-13(14)19)22-18-17-15(25-23-18)3-2-8-20-17;1-15(18,19)16(20,21)24-10-5-2-4-9(8-10)22-14-11-6-3-7-12(17)13(11)25-23-14;1-19-12-6-5-8(7-10(12)15)17-14-9-3-2-4-11(16)13(9)20-18-14;1-8-5-6-9(7-11(8)15)17-14-10-3-2-4-12(16)13(10)19-18-14;2*14-8-3-1-4-9(7-8)16-13-10-5-2-6-11(15)12(10)18-17-13/h2-10H,1H3,(H,22,23);2-8H,1H3,(H,22,23);2-7H,1H3,(H,17,18);2-7H,1H3,(H,17,18);2*1-7H,(H,16,17).

What are the key properties of N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine?

N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 1789.33 g/mol, XLogP of 27.71, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methoxyphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-(3-chloro-4-methylphenyl)-7-fluoro-1,2-benzoxazol-3-amine;N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chlorophenyl)-7-fluoro-1,2-benzoxazol-3-amine;7-fluoro-N-(3-fluorophenyl)-1,2-benzoxazol-3-amine;7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 158234971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).