N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide

C92H117FN26O9 — CID 161105778

About N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide (PubChem CID 161105778) has the molecular formula C92H117FN26O9 and a molecular weight of 1750.12 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide.

Molecular Properties

• Compound Name: N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide
• PubChem CID: 161105778
• Molecular Formula: C92H117FN26O9
• Molecular Weight: 1750.12 g/mol
• Exact Mass: 1748.95
• IUPAC Name: N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide
• SMILES: CC(C)C(=O)Nc1ccc2c(N)n[nH]c2c1.CC(C)C(=O)Nc1ccc2c(N)ncnc2c1.CC(C)C(=O)Nc1ccc2c(N)noc2c1.CC(C)C(=O)Nc1ccc2c(c1)CCNC2.CC(C)C(=O)Nc1ccc2c(c1)CNC2=O.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1F.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cn1.[H]/N=C(\N)c1ccc2c(c1)CN=C(C(C)C)N2
• InChI: InChI=1S/C13H18N2O.C12H14N4O.C12H16N4.C12H14N2O2.C11H14FN3O.C11H14N4O.C11H13N3O2.C10H14N4O/c1-9(2)13(16)15-12-4-3-11-8-14-6-5-10(11)7-12;1-7(2)12(17)16-8-3-4-9-10(5-8)14-6-15-11(9)13;1-7(2)12-15-6-9-5-8(11(13)14)3-4-10(9)16-12;1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16;1-6(2)11(16)15-7-3-4-8(10(13)14)9(12)5-7;1-6(2)11(16)13-7-3-4-8-9(5-7)14-15-10(8)12;1-6(2)11(15)13-7-3-4-8-9(5-7)16-14-10(8)12;1-6(2)10(15)14-7-3-4-8(9(11)12)13-5-7/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,15,16);3-7H,1-2H3,(H,16,17)(H2,13,14,15);3-5,7H,6H2,1-2H3,(H3,13,14)(H,15,16);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-6H,1-2H3,(H3,13,14)(H,15,16);3-6H,1-2H3,(H,13,16)(H3,12,14,15);3-6H,1-2H3,(H2,12,14)(H,13,15);3-6H,1-2H3,(H3,11,12)(H,14,15)
• InChIKey: UJAKFHNLMDRSBI-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 590.27 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1750.12
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide?

The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide (CID 161105778) is N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide.

What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide?

The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide is CC(C)C(=O)Nc1ccc2c(N)n[nH]c2c1.CC(C)C(=O)Nc1ccc2c(N)ncnc2c1.CC(C)C(=O)Nc1ccc2c(N)noc2c1.CC(C)C(=O)Nc1ccc2c(c1)CCNC2.CC(C)C(=O)Nc1ccc2c(c1)CNC2=O.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cc1F.[H]/N=C(\N)c1ccc(NC(=O)C(C)C)cn1.[H]/N=C(\N)c1ccc2c(c1)CN=C(C(C)C)N2.

What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide?

The InChIKey is UJAKFHNLMDRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C12H14N4O.C12H16N4.C12H14N2O2.C11H14FN3O.C11H14N4O.C11H13N3O2.C10H14N4O/c1-9(2)13(16)15-12-4-3-11-8-14-6-5-10(11)7-12;1-7(2)12(17)16-8-3-4-9-10(5-8)14-6-15-11(9)13;1-7(2)12-15-6-9-5-8(11(13)14)3-4-10(9)16-12;1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16;1-6(2)11(16)15-7-3-4-8(10(13)14)9(12)5-7;1-6(2)11(16)13-7-3-4-8-9(5-7)14-15-10(8)12;1-6(2)11(15)13-7-3-4-8-9(5-7)16-14-10(8)12;1-6(2)10(15)14-7-3-4-8(9(11)12)13-5-7/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,15,16);3-7H,1-2H3,(H,16,17)(H2,13,14,15);3-5,7H,6H2,1-2H3,(H3,13,14)(H,15,16);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-6H,1-2H3,(H3,13,14)(H,15,16);3-6H,1-2H3,(H,13,16)(H3,12,14,15);3-6H,1-2H3,(H2,12,14)(H,13,15);3-6H,1-2H3,(H3,11,12)(H,14,15).

What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide?

N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide has a molecular weight of 1750.12 g/mol, XLogP of 13.62, 18 rotatable bonds, 20 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-methylpropanamide;N-(3-amino-1H-indazol-6-yl)-2-methylpropanamide;N-(4-aminoquinazolin-7-yl)-2-methylpropanamide;N-(4-carbamimidoyl-3-fluorophenyl)-2-methylpropanamide;N-(6-carbamimidoyl-3-pyridinyl)-2-methylpropanamide;2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide;2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;2-propan-2-yl-1,4-dihydroquinazoline-6-carboximidamide is sourced from PubChem (CID 161105778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).