N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide

C19H25N5O3 — CID 11245694

IUPACN-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)c1nnc(CCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C19H25N5O3/c1-2-3-4-7-14(12-24(26)13-25)19-23-22-18(27-19)11-10-17-20-15-8-5-6-9-16(15)21-17/h5-6,8-9,13-14,26H,2-4,7,10-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyLPNPIUUUJNBZRI-CQSZACIVSA-N
MW371.44 g/mol
LogP3.24
Rot. Bonds11

About N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide (PubChem CID 11245694) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
PubChem CID11245694
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)c1nnc(CCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C19H25N5O3/c1-2-3-4-7-14(12-24(26)13-25)19-23-22-18(27-19)11-10-17-20-15-8-5-6-9-16(15)21-17/h5-6,8-9,13-14,26H,2-4,7,10-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyLPNPIUUUJNBZRI-CQSZACIVSA-N
XLogP3.24
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[(2S)-2-[5-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-yl]heptyl]formamide
CID 87069652
2-docosyl-1H-benzimidazole
CID 141189761
N-[2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
CID 11163828
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
N-[(2R)-2-(5-benzyl-1,3,4-oxadiazol-2-yl)heptyl]-N-phenylmethoxyformamide
CID 86603578
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol
CID 42604379
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
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2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
CID 175558320
2-(2-decylsulfanylethyl)-1H-benzimidazole
CID 139610484
ethyl 5-(1H-benzimidazol-2-yl)-2-sulfanylpentanoate
CID 19889647

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide (CID 11245694) is N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)c1nnc(CCc2nc3ccccc3[nH]2)o1.
What is the InChIKey of N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide?
The InChIKey is LPNPIUUUJNBZRI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-2-3-4-7-14(12-24(26)13-25)19-23-22-18(27-19)11-10-17-20-15-8-5-6-9-16(15)21-17/h5-6,8-9,13-14,26H,2-4,7,10-12H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide has a molecular weight of 371.44 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 11245694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).