2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine

C108H91ClN20O11 — CID 160900715

About 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine

2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 160900715) has the molecular formula C108H91ClN20O11 and a molecular weight of 1880.50 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

• Compound Name: 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
• PubChem CID: 160900715
• Molecular Formula: C108H91ClN20O11
• Molecular Weight: 1880.50 g/mol
• Exact Mass: 1878.69
• IUPAC Name: 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
• SMILES: Clc1ccc2nc(NC(c3ccccc3)c3nc(-c4ccccc4)no3)oc2c1.N/C(=N\C(=O)C(NC(=O)c1cccnc1)c1ccccc1)c1ccccc1.N/C(=N\C(=O)C(NC(=O)c1ccncc1)c1ccccc1)c1ccccc1.NC(=CC(=O)C1CC1)C(=O)NC(c1ccccc1)c1nc(-c2ccccc2)no1.[H]/N=C(/NC(=O)C(NC(=O)c1ccc(C)nc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H15ClN4O2.C22H20N4O3.C22H20N4O2.2C21H18N4O2/c23-16-11-12-17-18(13-16)28-22(24-17)25-19(14-7-3-1-4-8-14)21-26-20(27-29-21)15-9-5-2-6-10-15;23-17(13-18(27)14-11-12-14)21(28)24-19(15-7-3-1-4-8-15)22-25-20(26-29-22)16-9-5-2-6-10-16;1-15-12-13-18(14-24-15)21(27)25-19(16-8-4-2-5-9-16)22(28)26-20(23)17-10-6-3-7-11-17;22-19(16-10-5-2-6-11-16)25-21(27)18(15-8-3-1-4-9-15)24-20(26)17-12-7-13-23-14-17;22-19(16-9-5-2-6-10-16)25-21(27)18(15-7-3-1-4-8-15)24-20(26)17-11-13-23-14-12-17/h1-13,19H,(H,24,25);1-10,13-14,19H,11-12,23H2,(H,24,28);2-14,19H,1H3,(H,25,27)(H2,23,26,28);2*1-14,18H,(H,24,26)(H2,22,25,27)
• InChIKey: CTCTVSUBSYSGBL-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 477.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1880.50
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?

The IUPAC name of 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine (CID 160900715) is 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine.

What is the SMILES notation for 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?

The canonical SMILES for 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine is Clc1ccc2nc(NC(c3ccccc3)c3nc(-c4ccccc4)no3)oc2c1.N/C(=N\C(=O)C(NC(=O)c1cccnc1)c1ccccc1)c1ccccc1.N/C(=N\C(=O)C(NC(=O)c1ccncc1)c1ccccc1)c1ccccc1.NC(=CC(=O)C1CC1)C(=O)NC(c1ccccc1)c1nc(-c2ccccc2)no1.[H]/N=C(/NC(=O)C(NC(=O)c1ccc(C)nc1)c1ccccc1)c1ccccc1.

What is the InChIKey of 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?

The InChIKey is CTCTVSUBSYSGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2.C22H20N4O3.C22H20N4O2.2C21H18N4O2/c23-16-11-12-17-18(13-16)28-22(24-17)25-19(14-7-3-1-4-8-14)21-26-20(27-29-21)15-9-5-2-6-10-15;23-17(13-18(27)14-11-12-14)21(28)24-19(15-7-3-1-4-8-15)22-25-20(26-29-22)16-9-5-2-6-10-16;1-15-12-13-18(14-24-15)21(27)25-19(16-8-4-2-5-9-16)22(28)26-20(23)17-10-6-3-7-11-17;22-19(16-10-5-2-6-11-16)25-21(27)18(15-8-3-1-4-9-15)24-20(26)17-12-7-13-23-14-17;22-19(16-9-5-2-6-10-16)25-21(27)18(15-7-3-1-4-8-15)24-20(26)17-11-13-23-14-12-17/h1-13,19H,(H,24,25);1-10,13-14,19H,11-12,23H2,(H,24,28);2-14,19H,1H3,(H,25,27)(H2,23,26,28);2*1-14,18H,(H,24,26)(H2,22,25,27).

What are the key properties of 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?

2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 1880.50 g/mol, XLogP of 16.47, 27 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-cyclopropyl-4-oxo-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-3-carboxamide;N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]pyridine-4-carboxamide;N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide;6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 160900715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).