N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide

C19H25N3O3 — CID 21078846

IUPACN-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide
SMILESO=CN(O)CC(CC1CCCCC1)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H25N3O3/c23-14-22(24)13-17(11-15-7-3-1-4-8-15)19-21-20-18(25-19)12-16-9-5-2-6-10-16/h2,5-6,9-10,14-15,17,24H,1,3-4,7-8,11-13H2
InChIKeyQPGBYPFJZKLJGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.56
Rot. Bonds8

About N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide

N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide (PubChem CID 21078846) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide
PubChem CID21078846
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide
SMILESO=CN(O)CC(CC1CCCCC1)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H25N3O3/c23-14-22(24)13-17(11-15-7-3-1-4-8-15)19-21-20-18(25-19)12-16-9-5-2-6-10-16/h2,5-6,9-10,14-15,17,24H,1,3-4,7-8,11-13H2
InChIKeyQPGBYPFJZKLJGZ-UHFFFAOYSA-N
XLogP3.56
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide?
The IUPAC name of N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide (CID 21078846) is N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide is O=CN(O)CC(CC1CCCCC1)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide?
The InChIKey is QPGBYPFJZKLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-14-22(24)13-17(11-15-7-3-1-4-8-15)19-21-20-18(25-19)12-16-9-5-2-6-10-16/h2,5-6,9-10,14-15,17,24H,1,3-4,7-8,11-13H2.
What are the key properties of N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide?
N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide has a molecular weight of 343.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-cyclohexylpropyl]-N-hydroxyformamide is sourced from PubChem (CID 21078846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).