N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide

C24H19FN6O3 — CID 175682806

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc2ccc(-c3ncc(C(=O)Nc4cc(-c5noc([C@H]6C[C@@H]6F)n5)ccc4C)o3)cc2[nH]1
InChIInChI=1S/C24H19FN6O3/c1-11-3-4-13(21-30-24(34-31-21)15-9-16(15)25)7-18(11)29-22(32)20-10-26-23(33-20)14-5-6-17-19(8-14)28-12(2)27-17/h3-8,10,15-16H,9H2,1-2H3,(H,27,28)(H,29,32)/t15-,16-/m0/s1
InChIKeyRSDVZDDVUWWYLP-HOTGVXAUSA-N
MW458.45 g/mol
LogP4.96
Rot. Bonds5

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 175682806) has the molecular formula C24H19FN6O3 and a molecular weight of 458.45 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID175682806
Molecular FormulaC24H19FN6O3
Molecular Weight458.45 g/mol
Exact Mass458.15
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc2ccc(-c3ncc(C(=O)Nc4cc(-c5noc([C@H]6C[C@@H]6F)n5)ccc4C)o3)cc2[nH]1
InChIInChI=1S/C24H19FN6O3/c1-11-3-4-13(21-30-24(34-31-21)15-9-16(15)25)7-18(11)29-22(32)20-10-26-23(33-20)14-5-6-17-19(8-14)28-12(2)27-17/h3-8,10,15-16H,9H2,1-2H3,(H,27,28)(H,29,32)/t15-,16-/m0/s1
InChIKeyRSDVZDDVUWWYLP-HOTGVXAUSA-N
XLogP4.96
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 46893268
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[3-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58384795
2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-carboxamide
CID 44541922
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 59237076
N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
CID 121272655
N-(1H-benzimidazol-2-ylmethyl)-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
CID 137657779
US10035777, Example 5
CID 118864403
US10035777, Example 102
CID 118864454
US10035777, Example 103
CID 118864481
US10035777, Example 65
CID 118880515
US10035777, Example 101
CID 118880591
5-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53141035

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide (CID 175682806) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide is Cc1nc2ccc(-c3ncc(C(=O)Nc4cc(-c5noc([C@H]6C[C@@H]6F)n5)ccc4C)o3)cc2[nH]1.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is RSDVZDDVUWWYLP-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H19FN6O3/c1-11-3-4-13(21-30-24(34-31-21)15-9-16(15)25)7-18(11)29-22(32)20-10-26-23(33-20)14-5-6-17-19(8-14)28-12(2)27-17/h3-8,10,15-16H,9H2,1-2H3,(H,27,28)(H,29,32)/t15-,16-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 458.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175682806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).