3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole

C16H19N5O — CID 72847122

IUPAC3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
SMILESCN1CCCCCC1c1nc(-c2ccc3nc[nH]c3c2)no1
InChIInChI=1S/C16H19N5O/c1-21-8-4-2-3-5-14(21)16-19-15(20-22-16)11-6-7-12-13(9-11)18-10-17-12/h6-7,9-10,14H,2-5,8H2,1H3,(H,17,18)
InChIKeyOIFZBMNTKDHTBN-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.16
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole (PubChem CID 72847122) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
PubChem CID72847122
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
SMILESCN1CCCCCC1c1nc(-c2ccc3nc[nH]c3c2)no1
InChIInChI=1S/C16H19N5O/c1-21-8-4-2-3-5-14(21)16-19-15(20-22-16)11-6-7-12-13(9-11)18-10-17-12/h6-7,9-10,14H,2-5,8H2,1H3,(H,17,18)
InChIKeyOIFZBMNTKDHTBN-UHFFFAOYSA-N
XLogP3.16
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole
CID 97454577
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
CID 72922799
1-[(3R)-3-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 97435593
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile
CID 46829675
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97444360
3-(6-butoxynaphthalen-2-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 145056901
5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70709448
3-(3H-benzimidazol-5-yl)-5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214167
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 166213858
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 86802363

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole (CID 72847122) is 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole is CN1CCCCCC1c1nc(-c2ccc3nc[nH]c3c2)no1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole?
The InChIKey is OIFZBMNTKDHTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21-8-4-2-3-5-14(21)16-19-15(20-22-16)11-6-7-12-13(9-11)18-10-17-12/h6-7,9-10,14H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole has a molecular weight of 297.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72847122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).