2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea

C64H45Br2F4N11O7S — CID 159078172

About 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea

2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea (PubChem CID 159078172) has the molecular formula C64H45Br2F4N11O7S and a molecular weight of 1348.00 g/mol. Its IUPAC name is 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea
• PubChem CID: 159078172
• Molecular Formula: C64H45Br2F4N11O7S
• Molecular Weight: 1348.00 g/mol
• Exact Mass: 1345.15
• IUPAC Name: 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea
• SMILES: Fc1ccc(-c2ncoc2-c2ccnc(Br)c2)cc1.NC(=O)Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1.Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1.O=Cc1ccnc(Br)c1.[C-]#[N+]C(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
• InChI: InChI=1S/C15H11FN4O2.C15H12FNO2S.C14H8BrFN2O.C14H10FN3O.C6H4BrNO/c16-11-3-1-9(2-4-11)13-14(22-8-19-13)10-5-6-18-12(7-10)20-15(17)21;1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12;15-12-7-10(5-6-17-12)14-13(18-8-19-14)9-1-3-11(16)4-2-9;15-11-3-1-9(2-4-11)13-14(19-8-18-13)10-5-6-17-12(16)7-10;7-6-3-5(4-9)1-2-8-6/h1-8H,(H3,17,18,20,21);3-10,15H,1H3;1-8H;1-8H,(H2,16,17);1-4H
• InChIKey: KAMZNZGNHNESNA-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 266.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.00
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?

The IUPAC name of 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea (CID 159078172) is 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea.

What is the SMILES notation for 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?

The canonical SMILES for 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea is Fc1ccc(-c2ncoc2-c2ccnc(Br)c2)cc1.NC(=O)Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1.Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1.O=Cc1ccnc(Br)c1.[C-]#[N+]C(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.

What is the InChIKey of 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?

The InChIKey is KAMZNZGNHNESNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2.C15H12FNO2S.C14H8BrFN2O.C14H10FN3O.C6H4BrNO/c16-11-3-1-9(2-4-11)13-14(22-8-19-13)10-5-6-18-12(7-10)20-15(17)21;1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12;15-12-7-10(5-6-17-12)14-13(18-8-19-14)9-1-3-11(16)4-2-9;15-11-3-1-9(2-4-11)13-14(19-8-18-13)10-5-6-17-12(16)7-10;7-6-3-5(4-9)1-2-8-6/h1-8H,(H3,17,18,20,21);3-10,15H,1H3;1-8H;1-8H,(H2,16,17);1-4H.

What are the key properties of 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea?

2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea has a molecular weight of 1348.00 g/mol, XLogP of 15.65, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine-4-carbaldehyde;5-(2-bromo-4-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole;1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene;4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]pyridin-2-amine;[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea is sourced from PubChem (CID 159078172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).