N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

C14H17N3O3 — CID 107318774

IUPACN-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NCCCCCO)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C14H17N3O3/c18-9-3-1-2-8-15-13(19)11-4-6-12(7-5-11)14-17-16-10-20-14/h4-7,10,18H,1-3,8-9H2,(H,15,19)
InChIKeyQHDWFWHIFPTFNK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.63
Rot. Bonds7

About N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 107318774) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID107318774
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NCCCCCO)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C14H17N3O3/c18-9-3-1-2-8-15-13(19)11-4-6-12(7-5-11)14-17-16-10-20-14/h4-7,10,18H,1-3,8-9H2,(H,15,19)
InChIKeyQHDWFWHIFPTFNK-UHFFFAOYSA-N
XLogP1.63
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid
CID 43354760
N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide
CID 108795171
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide
CID 9084736
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
CID 103919178

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (CID 107318774) is N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is O=C(NCCCCCO)c1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is QHDWFWHIFPTFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-9-3-1-2-8-15-13(19)11-4-6-12(7-5-11)14-17-16-10-20-14/h4-7,10,18H,1-3,8-9H2,(H,15,19).
What are the key properties of N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 107318774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).