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

C23H17FN6O3 — CID 175682805

IUPAC2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C23H17FN6O3/c1-11-2-3-12(20-29-23(33-30-20)14-8-15(14)24)6-17(11)28-21(31)19-9-25-22(32-19)13-4-5-16-18(7-13)27-10-26-16/h2-7,9-10,14-15H,8H2,1H3,(H,26,27)(H,28,31)/t14-,15-/m0/s1
InChIKeyLKQVPCVNIKQNOF-GJZGRUSLSA-N
MW444.43 g/mol
LogP4.65
Rot. Bonds5

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

2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide (PubChem CID 175682805) has the molecular formula C23H17FN6O3 and a molecular weight of 444.43 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
PubChem CID175682805
Molecular FormulaC23H17FN6O3
Molecular Weight444.43 g/mol
Exact Mass444.13
IUPAC Name2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C23H17FN6O3/c1-11-2-3-12(20-29-23(33-30-20)14-8-15(14)24)6-17(11)28-21(31)19-9-25-22(32-19)13-4-5-16-18(7-13)27-10-26-16/h2-7,9-10,14-15H,8H2,1H3,(H,26,27)(H,28,31)/t14-,15-/m0/s1
InChIKeyLKQVPCVNIKQNOF-GJZGRUSLSA-N
XLogP4.65
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide (CID 175682805) is 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is LKQVPCVNIKQNOF-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H17FN6O3/c1-11-2-3-12(20-29-23(33-30-20)14-8-15(14)24)6-17(11)28-21(31)19-9-25-22(32-19)13-4-5-16-18(7-13)27-10-26-16/h2-7,9-10,14-15H,8H2,1H3,(H,26,27)(H,28,31)/t14-,15-/m0/s1.
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175682805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).