4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

C142H110Cl7FN32O23S — CID 159746603

About 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 159746603) has the molecular formula C142H110Cl7FN32O23S and a molecular weight of 2931.88 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
• PubChem CID: 159746603
• Molecular Formula: C142H110Cl7FN32O23S
• Molecular Weight: 2931.88 g/mol
• Exact Mass: 2926.59
• IUPAC Name: 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
• SMILES: C=CC(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5noc(F)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5nsc(C)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CCC(=O)n5nc(C)cc5C)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)CCl)c4)nc3c2)ccn1
• InChI: InChI=1S/C28H25ClN6O4.C24H19ClN4O4.C23H17ClN6O3S.C23H18ClN5O4.C22H17Cl2N5O4.C22H14ClFN6O4/c1-16-12-17(2)35(34-16)26(36)9-4-18-13-19(5-7-22(18)29)32-28-33-23-14-20(6-8-25(23)39-28)38-21-10-11-31-24(15-21)27(37)30-3;1-3-16(30)10-14-4-5-15(11-19(14)25)28-24-29-20-12-17(6-7-22(20)33-24)32-18-8-9-27-21(13-18)23(31)26-2;1-12-27-21(30-34-12)16-9-13(3-5-17(16)24)28-23-29-18-10-14(4-6-20(18)33-23)32-15-7-8-26-19(11-15)22(31)25-2;1-3-21(30)28-17-10-13(4-6-16(17)24)27-23-29-18-11-14(5-7-20(18)33-23)32-15-8-9-26-19(12-15)22(31)25-2;1-25-21(31)18-10-14(6-7-26-18)32-13-3-5-19-17(9-13)29-22(33-19)27-12-2-4-15(24)16(8-12)28-20(30)11-23;1-25-20(31)17-10-13(6-7-26-17)32-12-3-5-18-16(9-12)28-22(33-18)27-11-2-4-15(23)14(8-11)19-29-21(24)34-30-19/h5-8,10-15H,4,9H2,1-3H3,(H,30,37)(H,32,33);3-9,11-13H,1,10H2,2H3,(H,26,31)(H,28,29);3-11H,1-2H3,(H,25,31)(H,28,29);3-12H,1H2,2H3,(H,25,31)(H,27,29)(H,28,30);2-10H,11H2,1H3,(H,25,31)(H,27,29)(H,28,30);2-10H,1H3,(H,25,31)(H,27,28)
• InChIKey: NDCOYBUXDCBKAQ-UHFFFAOYSA-N
• XLogP: 31.33
• TPSA: 710.54 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2931.88
LogP ≤ 5	31.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?

The IUPAC name of 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 159746603) is 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is C=CC(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5noc(F)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5nsc(C)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CCC(=O)n5nc(C)cc5C)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)CCl)c4)nc3c2)ccn1.

What is the InChIKey of 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?

The InChIKey is NDCOYBUXDCBKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN6O4.C24H19ClN4O4.C23H17ClN6O3S.C23H18ClN5O4.C22H17Cl2N5O4.C22H14ClFN6O4/c1-16-12-17(2)35(34-16)26(36)9-4-18-13-19(5-7-22(18)29)32-28-33-23-14-20(6-8-25(23)39-28)38-21-10-11-31-24(15-21)27(37)30-3;1-3-16(30)10-14-4-5-15(11-19(14)25)28-24-29-20-12-17(6-7-22(20)33-24)32-18-8-9-27-21(13-18)23(31)26-2;1-12-27-21(30-34-12)16-9-13(3-5-17(16)24)28-23-29-18-10-14(4-6-20(18)33-23)32-15-7-8-26-19(11-15)22(31)25-2;1-3-21(30)28-17-10-13(4-6-16(17)24)27-23-29-18-11-14(5-7-20(18)33-23)32-15-8-9-26-19(12-15)22(31)25-2;1-25-21(31)18-10-14(6-7-26-18)32-13-3-5-19-17(9-13)29-22(33-19)27-12-2-4-15(24)16(8-12)28-20(30)11-23;1-25-20(31)17-10-13(6-7-26-17)32-12-3-5-18-16(9-12)28-22(33-18)27-11-2-4-15(23)14(8-11)19-29-21(24)34-30-19/h5-8,10-15H,4,9H2,1-3H3,(H,30,37)(H,32,33);3-9,11-13H,1,10H2,2H3,(H,26,31)(H,28,29);3-11H,1-2H3,(H,25,31)(H,28,29);3-12H,1H2,2H3,(H,25,31)(H,27,29)(H,28,30);2-10H,11H2,1H3,(H,25,31)(H,27,29)(H,28,30);2-10H,1H3,(H,25,31)(H,27,28).

What are the key properties of 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?

4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 2931.88 g/mol, XLogP of 31.33, 42 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 159746603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).