[(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide

C94H114N24O24 — CID 172972515

About [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide

[(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide (PubChem CID 172972515) has the molecular formula C94H114N24O24 and a molecular weight of 1964.09 g/mol. Its IUPAC name is [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide
• PubChem CID: 172972515
• Molecular Formula: C94H114N24O24
• Molecular Weight: 1964.09 g/mol
• Exact Mass: 1962.84
• IUPAC Name: [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide
• SMILES: CC(=O)NC(CNC(=O)CC1CC(c2ccc(-c3noc(C)n3)cc2)=NO1)C(C)=O.CC(=O)NC(CNC(=O)CC1CC(c2ccc(/C(N)=N/O)cc2)=NO1)C(C)=O.CC(=O)NC(CNC(=O)CC1CC(c2ccc(/C(N)=N/OC(C)=O)cc2)=NO1)C(C)=O.CC(=O)NC(CNC(=O)CC1CC(c2ccc(C#N)cc2)=NO1)C(C)=O.[H]/N=C(\N)c1ccc(C2=NOC(CC(=O)NCC(NC(C)=O)C(C)=O)C2)cc1
• InChI: InChI=1S/C20H25N5O6.C20H23N5O5.C18H23N5O5.C18H23N5O4.C18H20N4O4/c1-11(26)18(23-12(2)27)10-22-19(29)9-16-8-17(24-31-16)14-4-6-15(7-5-14)20(21)25-30-13(3)28;1-11(26)18(22-12(2)27)10-21-19(28)9-16-8-17(24-30-16)14-4-6-15(7-5-14)20-23-13(3)29-25-20;1-10(24)16(21-11(2)25)9-20-17(26)8-14-7-15(23-28-14)12-3-5-13(6-4-12)18(19)22-27;1-10(24)16(22-11(2)25)9-21-17(26)8-14-7-15(23-27-14)12-3-5-13(6-4-12)18(19)20;1-11(23)17(21-12(2)24)10-20-18(25)8-15-7-16(22-26-15)14-5-3-13(9-19)4-6-14/h4-7,16,18H,8-10H2,1-3H3,(H2,21,25)(H,22,29)(H,23,27);4-7,16,18H,8-10H2,1-3H3,(H,21,28)(H,22,27);3-6,14,16,27H,7-9H2,1-2H3,(H2,19,22)(H,20,26)(H,21,25);3-6,14,16H,7-9H2,1-2H3,(H3,19,20)(H,21,26)(H,22,25);3-6,15,17H,7-8,10H2,1-2H3,(H,20,25)(H,21,24)
• InChIKey: UXCGMLVLPRORJN-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 720.17 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 35
• Rotatable Bonds: 40
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.09
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?

The IUPAC name of [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide (CID 172972515) is [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide.

What is the SMILES notation for [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?

The canonical SMILES for [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide is CC(=O)NC(CNC(=O)CC1CC(c2ccc(-c3noc(C)n3)cc2)=NO1)C(C)=O.CC(=O)NC(CNC(=O)CC1CC(c2ccc(/C(N)=N/O)cc2)=NO1)C(C)=O.CC(=O)NC(CNC(=O)CC1CC(c2ccc(/C(N)=N/OC(C)=O)cc2)=NO1)C(C)=O.CC(=O)NC(CNC(=O)CC1CC(c2ccc(C#N)cc2)=NO1)C(C)=O.[H]/N=C(\N)c1ccc(C2=NOC(CC(=O)NCC(NC(C)=O)C(C)=O)C2)cc1.

What is the InChIKey of [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?

The InChIKey is UXCGMLVLPRORJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O6.C20H23N5O5.C18H23N5O5.C18H23N5O4.C18H20N4O4/c1-11(26)18(23-12(2)27)10-22-19(29)9-16-8-17(24-31-16)14-4-6-15(7-5-14)20(21)25-30-13(3)28;1-11(26)18(22-12(2)27)10-21-19(28)9-16-8-17(24-30-16)14-4-6-15(7-5-14)20-23-13(3)29-25-20;1-10(24)16(21-11(2)25)9-20-17(26)8-14-7-15(23-28-14)12-3-5-13(6-4-12)18(19)22-27;1-10(24)16(22-11(2)25)9-21-17(26)8-14-7-15(23-27-14)12-3-5-13(6-4-12)18(19)20;1-11(23)17(21-12(2)24)10-20-18(25)8-15-7-16(22-26-15)14-5-3-13(9-19)4-6-14/h4-7,16,18H,8-10H2,1-3H3,(H2,21,25)(H,22,29)(H,23,27);4-7,16,18H,8-10H2,1-3H3,(H,21,28)(H,22,27);3-6,14,16,27H,7-9H2,1-2H3,(H2,19,22)(H,20,26)(H,21,25);3-6,14,16H,7-9H2,1-2H3,(H3,19,20)(H,21,26)(H,22,25);3-6,15,17H,7-8,10H2,1-2H3,(H,20,25)(H,21,24).

What are the key properties of [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?

[(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide has a molecular weight of 1964.09 g/mol, XLogP of 1.69, 40 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-[[4-[5-[2-[(2-acetamido-3-oxobutyl)amino]-2-oxoethyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-aminomethylidene]amino] acetate;N-(2-acetamido-3-oxobutyl)-2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide;N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 172972515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).