N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride

C46H47ClF2N10O7 — CID 159838817

About N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride

N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride (PubChem CID 159838817) has the molecular formula C46H47ClF2N10O7 and a molecular weight of 925.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride
• PubChem CID: 159838817
• Molecular Formula: C46H47ClF2N10O7
• Molecular Weight: 925.39 g/mol
• Exact Mass: 924.33
• IUPAC Name: N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride
• SMILES: CN(C)C(CN)c1coc(-c2ccc(F)cc2)n1.Cc1nc(-c2cccc(C(=O)NCC(c3coc(-c4ccc(F)cc4)n3)N(C)C)c2)no1.Cc1nc(-c2cccc(C(=O)O)c2)no1.Cl
• InChI: InChI=1S/C23H22FN5O3.C13H16FN3O.C10H8N2O3.ClH/c1-14-26-21(28-32-14)16-5-4-6-17(11-16)22(30)25-12-20(29(2)3)19-13-31-23(27-19)15-7-9-18(24)10-8-15;1-17(2)12(7-15)11-8-18-13(16-11)9-3-5-10(14)6-4-9;1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14;/h4-11,13,20H,12H2,1-3H3,(H,25,30);3-6,8,12H,7,15H2,1-2H3;2-5H,1H3,(H,13,14);1H
• InChIKey: KKDPLZLDYXCKBS-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 228.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.39
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride?

The IUPAC name of N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride (CID 159838817) is N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride.

What is the SMILES notation for N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride?

The canonical SMILES for N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride is CN(C)C(CN)c1coc(-c2ccc(F)cc2)n1.Cc1nc(-c2cccc(C(=O)NCC(c3coc(-c4ccc(F)cc4)n3)N(C)C)c2)no1.Cc1nc(-c2cccc(C(=O)O)c2)no1.Cl.

What is the InChIKey of N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride?

The InChIKey is KKDPLZLDYXCKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3.C13H16FN3O.C10H8N2O3.ClH/c1-14-26-21(28-32-14)16-5-4-6-17(11-16)22(30)25-12-20(29(2)3)19-13-31-23(27-19)15-7-9-18(24)10-8-15;1-17(2)12(7-15)11-8-18-13(16-11)9-3-5-10(14)6-4-9;1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14;/h4-11,13,20H,12H2,1-3H3,(H,25,30);3-6,8,12H,7,15H2,1-2H3;2-5H,1H3,(H,13,14);1H.

What are the key properties of N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride?

N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride has a molecular weight of 925.39 g/mol, XLogP of 8.08, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N,N-dimethylethane-1,2-diamine;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;hydrochloride is sourced from PubChem (CID 159838817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).