5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane

C28H40Cl2N10O4 — CID 162210969

About 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane

5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane (PubChem CID 162210969) has the molecular formula C28H40Cl2N10O4 and a molecular weight of 651.60 g/mol. Its IUPAC name is 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane.

Molecular Properties

• Compound Name: 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane
• PubChem CID: 162210969
• Molecular Formula: C28H40Cl2N10O4
• Molecular Weight: 651.60 g/mol
• Exact Mass: 650.26
• IUPAC Name: 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane
• SMILES: C.CC(C)(C)c1cc(N)no1.CC(C)(C)c1cc(NC(=O)n2ccnc2)no1.ClCCCl.O=C(n1ccnc1)n1ccnc1
• InChI: InChI=1S/C11H14N4O2.C7H6N4O.C7H12N2O.C2H4Cl2.CH4/c1-11(2,3)8-6-9(14-17-8)13-10(16)15-5-4-12-7-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-7(2,3)5-4-6(8)9-10-5;3-1-2-4;/h4-7H,1-3H3,(H,13,14,16);1-6H;4H,1-3H3,(H2,8,9);1-2H2;1H4
• InChIKey: ZSVMIIWNQZZZLV-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 177.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	651.60
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane?

The IUPAC name of 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane (CID 162210969) is 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane.

What is the SMILES notation for 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane?

The canonical SMILES for 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane is C.CC(C)(C)c1cc(N)no1.CC(C)(C)c1cc(NC(=O)n2ccnc2)no1.ClCCCl.O=C(n1ccnc1)n1ccnc1.

What is the InChIKey of 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane?

The InChIKey is ZSVMIIWNQZZZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2.C7H6N4O.C7H12N2O.C2H4Cl2.CH4/c1-11(2,3)8-6-9(14-17-8)13-10(16)15-5-4-12-7-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-7(2,3)5-4-6(8)9-10-5;3-1-2-4;/h4-7H,1-3H3,(H,13,14,16);1-6H;4H,1-3H3,(H2,8,9);1-2H2;1H4.

What are the key properties of 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane?

5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane has a molecular weight of 651.60 g/mol, XLogP of 6.50, 2 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane is sourced from PubChem (CID 162210969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).