N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate

C60H61Cl2F6N14O14- — CID 159696224

About N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate

N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate (PubChem CID 159696224) has the molecular formula C60H61Cl2F6N14O14- and a molecular weight of 1387.13 g/mol. Its IUPAC name is N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate.

Molecular Properties

• Compound Name: N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate
• PubChem CID: 159696224
• Molecular Formula: C60H61Cl2F6N14O14-
• Molecular Weight: 1387.13 g/mol
• Exact Mass: 1385.38
• IUPAC Name: N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate
• SMILES: CC(=O)c1cc(NC(=O)c2ccc(F)cc2F)no1.CCOC(=O)c1cc(N)no1.Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(F)cc3F)no2)cc1C(=O)NCCN1CCOCC1.Cn1cc(NCl)cc1/C([O-])=N/CCN1CCOCC1.O=C(Cl)c1ccc(F)cc1F
• InChI: InChI=1S/C23H24F2N6O5.C12H19ClN4O2.C12H8F2N2O3.C7H3ClF2O.C6H8N2O3/c1-30-13-15(11-18(30)22(33)26-4-5-31-6-8-35-9-7-31)27-23(34)19-12-20(29-36-19)28-21(32)16-3-2-14(24)10-17(16)25;1-16-9-10(15-13)8-11(16)12(18)14-2-3-17-4-6-19-7-5-17;1-6(17)10-5-11(16-19-10)15-12(18)8-3-2-7(13)4-9(8)14;8-7(11)5-2-1-4(9)3-6(5)10;1-2-10-6(9)4-3-5(7)8-11-4/h2-3,10-13H,4-9H2,1H3,(H,26,33)(H,27,34)(H,28,29,32);8-9,15H,2-7H2,1H3,(H,14,18);2-5H,1H3,(H,15,16,18);1-3H;3H,2H2,1H3,(H2,7,8)/p-1
• InChIKey: GKWKFDNRKFLIRR-UHFFFAOYSA-M
• XLogP: 7.07
• TPSA: 363.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1387.13
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate?

The IUPAC name of N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate (CID 159696224) is N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate.

What is the SMILES notation for N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate?

The canonical SMILES for N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate is CC(=O)c1cc(NC(=O)c2ccc(F)cc2F)no1.CCOC(=O)c1cc(N)no1.Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(F)cc3F)no2)cc1C(=O)NCCN1CCOCC1.Cn1cc(NCl)cc1/C([O-])=N/CCN1CCOCC1.O=C(Cl)c1ccc(F)cc1F.

What is the InChIKey of N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate?

The InChIKey is GKWKFDNRKFLIRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24F2N6O5.C12H19ClN4O2.C12H8F2N2O3.C7H3ClF2O.C6H8N2O3/c1-30-13-15(11-18(30)22(33)26-4-5-31-6-8-35-9-7-31)27-23(34)19-12-20(29-36-19)28-21(32)16-3-2-14(24)10-17(16)25;1-16-9-10(15-13)8-11(16)12(18)14-2-3-17-4-6-19-7-5-17;1-6(17)10-5-11(16-19-10)15-12(18)8-3-2-7(13)4-9(8)14;8-7(11)5-2-1-4(9)3-6(5)10;1-2-10-6(9)4-3-5(7)8-11-4/h2-3,10-13H,4-9H2,1H3,(H,26,33)(H,27,34)(H,28,29,32);8-9,15H,2-7H2,1H3,(H,14,18);2-5H,1H3,(H,15,16,18);1-3H;3H,2H2,1H3,(H2,7,8)/p-1.

What are the key properties of N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate?

N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate has a molecular weight of 1387.13 g/mol, XLogP of 7.07, 19 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetyl-1,2-oxazol-3-yl)-2,4-difluorobenzamide;4-(chloroamino)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboximidate;3-[(2,4-difluorobenzoyl)amino]-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-1,2-oxazole-5-carboxamide;2,4-difluorobenzoyl chloride;ethyl 3-amino-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 159696224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).