N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid

C70H90ClN15O15S2 — CID 162189153

About N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid

N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid (PubChem CID 162189153) has the molecular formula C70H90ClN15O15S2 and a molecular weight of 1481.17 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid
• PubChem CID: 162189153
• Molecular Formula: C70H90ClN15O15S2
• Molecular Weight: 1481.17 g/mol
• Exact Mass: 1479.59
• IUPAC Name: N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid
• SMILES: C.CCCCCN.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)C(=O)OC(C)(C)C.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1nccn1C.Cn1ccnc1S(=O)(=O)Cl.NCCCNC(=O)c1cc(-c2ccccc2)on1.O=C(O)c1cc(-c2ccccc2)on1
• InChI: InChI=1S/C19H25N3O4.C18H21N5O4S.C13H15N3O2.C10H7NO3.C5H13N.C4H5ClN2O2S.CH4/c1-19(2,3)25-18(24)22(4)12-8-11-20-17(23)15-13-16(26-21-15)14-9-6-5-7-10-14;1-22-12-10-20-18(22)28(25,26)23(2)11-6-9-19-17(24)15-13-16(27-21-15)14-7-4-3-5-8-14;14-7-4-8-15-13(17)11-9-12(18-16-11)10-5-2-1-3-6-10;12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7;1-2-3-4-5-6;1-7-3-2-6-4(7)10(5,8)9;/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,23);3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,19,24);1-3,5-6,9H,4,7-8,14H2,(H,15,17);1-6H,(H,12,13);2-6H2,1H3;2-3H,1H3;1H4
• InChIKey: ZQBIOTDFOHFZFG-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 417.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1481.17
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid?

The IUPAC name of N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid (CID 162189153) is N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid is C.CCCCCN.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)C(=O)OC(C)(C)C.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1nccn1C.Cn1ccnc1S(=O)(=O)Cl.NCCCNC(=O)c1cc(-c2ccccc2)on1.O=C(O)c1cc(-c2ccccc2)on1.

What is the InChIKey of N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid?

The InChIKey is ZQBIOTDFOHFZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.C18H21N5O4S.C13H15N3O2.C10H7NO3.C5H13N.C4H5ClN2O2S.CH4/c1-19(2,3)25-18(24)22(4)12-8-11-20-17(23)15-13-16(26-21-15)14-9-6-5-7-10-14;1-22-12-10-20-18(22)28(25,26)23(2)11-6-9-19-17(24)15-13-16(27-21-15)14-7-4-3-5-8-14;14-7-4-8-15-13(17)11-9-12(18-16-11)10-5-2-1-3-6-10;12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7;1-2-3-4-5-6;1-7-3-2-6-4(7)10(5,8)9;/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,23);3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,19,24);1-3,5-6,9H,4,7-8,14H2,(H,15,17);1-6H,(H,12,13);2-6H2,1H3;2-3H,1H3;1H4.

What are the key properties of N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid?

N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 1481.17 g/mol, XLogP of 10.42, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-5-phenyl-1,2-oxazole-3-carboxamide;tert-butyl N-methyl-N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate;methane;1-methylimidazole-2-sulfonyl chloride;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;pentan-1-amine;5-phenyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 162189153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).