N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide

C16H17N3O4 — CID 125419283

IUPACN-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1nnc(-c2ccc3c(c2)OCO3)o1)C1CC1
InChIInChI=1S/C16H17N3O4/c20-15(10-3-4-10)17-7-1-2-14-18-19-16(23-14)11-5-6-12-13(8-11)22-9-21-12/h5-6,8,10H,1-4,7,9H2,(H,17,20)
InChIKeyLCAZDWUGPUGYJY-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.92
Rot. Bonds6

About N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide

N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide (PubChem CID 125419283) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide
PubChem CID125419283
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1nnc(-c2ccc3c(c2)OCO3)o1)C1CC1
InChIInChI=1S/C16H17N3O4/c20-15(10-3-4-10)17-7-1-2-14-18-19-16(23-14)11-5-6-12-13(8-11)22-9-21-12/h5-6,8,10H,1-4,7,9H2,(H,17,20)
InChIKeyLCAZDWUGPUGYJY-UHFFFAOYSA-N
XLogP1.92
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 110320787
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110320840
N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115571323
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenylethyl)propanamide
CID 26397296
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110321850
N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 39714352
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
CID 42113274
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 42195492
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 2595432
N-[4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenyl]-2-methylpropanamide
CID 46383158

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide (CID 125419283) is N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide is O=C(NCCCc1nnc(-c2ccc3c(c2)OCO3)o1)C1CC1.
What is the InChIKey of N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide?
The InChIKey is LCAZDWUGPUGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(10-3-4-10)17-7-1-2-14-18-19-16(23-14)11-5-6-12-13(8-11)22-9-21-12/h5-6,8,10H,1-4,7,9H2,(H,17,20).
What are the key properties of N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide?
N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 125419283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).