[3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol

C21H20N4O4 — CID 170027061

IUPAC[3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol
SMILESOC(O)(O)c1cccc(-c2noc(-c3ccc4c(c3)ncn4C3CCCC3)n2)c1
InChIInChI=1S/C21H20N4O4/c26-21(27,28)15-5-3-4-13(10-15)19-23-20(29-24-19)14-8-9-18-17(11-14)22-12-25(18)16-6-1-2-7-16/h3-5,8-12,16,26-28H,1-2,6-7H2
InChIKeyUXRZWICBHVEEDA-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.96
Rot. Bonds4

About [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol

[3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol (PubChem CID 170027061) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol.

Molecular Properties

Compound Name[3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol
PubChem CID170027061
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name[3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol
SMILESOC(O)(O)c1cccc(-c2noc(-c3ccc4c(c3)ncn4C3CCCC3)n2)c1
InChIInChI=1S/C21H20N4O4/c26-21(27,28)15-5-3-4-13(10-15)19-23-20(29-24-19)14-8-9-18-17(11-14)22-12-25(18)16-6-1-2-7-16/h3-5,8-12,16,26-28H,1-2,6-7H2
InChIKeyUXRZWICBHVEEDA-UHFFFAOYSA-N
XLogP2.96
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 22586361
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
(4R)-1-(3-chlorophenyl)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075917
2-(4-chlorophenyl)-N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586359
N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 92502542
4-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one
CID 53009506
(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95075916
2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 156522216
3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53180015
5-chloro-1-cyclohexylbenzimidazole
CID 15429072
1-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]azetidin-3-ol
CID 70740569
N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53031816

Frequently Asked Questions

What is the IUPAC name of [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol?
The IUPAC name of [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol (CID 170027061) is [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol.
What is the SMILES notation for [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol?
The canonical SMILES for [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol is OC(O)(O)c1cccc(-c2noc(-c3ccc4c(c3)ncn4C3CCCC3)n2)c1.
What is the InChIKey of [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol?
The InChIKey is UXRZWICBHVEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-21(27,28)15-5-3-4-13(10-15)19-23-20(29-24-19)14-8-9-18-17(11-14)22-12-25(18)16-6-1-2-7-16/h3-5,8-12,16,26-28H,1-2,6-7H2.
What are the key properties of [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol?
[3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol has a molecular weight of 392.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol is sourced from PubChem (CID 170027061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).