3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide

C23H24FN5O3 — CID 135105636

IUPAC3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)NCCc2nc3ccc(C)cc3[nH]2)ccc1F
InChIInChI=1S/C23H24FN5O3/c1-13-5-8-16-17(11-13)27-19(26-16)9-10-25-23(30)20-21(32-28-22(20)29(2)3)14-6-7-15(24)18(12-14)31-4/h5-8,11-12H,9-10H2,1-4H3,(H,25,30)(H,26,27)
InChIKeyZGPBHOHJOLNANN-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.71
Rot. Bonds7

About 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 135105636) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID135105636
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCOc1cc(-c2onc(N(C)C)c2C(=O)NCCc2nc3ccc(C)cc3[nH]2)ccc1F
InChIInChI=1S/C23H24FN5O3/c1-13-5-8-16-17(11-13)27-19(26-16)9-10-25-23(30)20-21(32-28-22(20)29(2)3)14-6-7-15(24)18(12-14)31-4/h5-8,11-12H,9-10H2,1-4H3,(H,25,30)(H,26,27)
InChIKeyZGPBHOHJOLNANN-UHFFFAOYSA-N
XLogP3.71
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 135105636) is 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide is COc1cc(-c2onc(N(C)C)c2C(=O)NCCc2nc3ccc(C)cc3[nH]2)ccc1F.
What is the InChIKey of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZGPBHOHJOLNANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-13-5-8-16-17(11-13)27-19(26-16)9-10-25-23(30)20-21(32-28-22(20)29(2)3)14-6-7-15(24)18(12-14)31-4/h5-8,11-12H,9-10H2,1-4H3,(H,25,30)(H,26,27).
What are the key properties of 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide?
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135105636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).