N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C17H14N4O4 — CID 110320840

IUPACN-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCc1nnc(-c2ccncc2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O4/c22-16(12-1-2-13-14(9-12)24-10-23-13)19-8-5-15-20-21-17(25-15)11-3-6-18-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,19,22)
InChIKeyIGKPNLKLZNKTEY-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110320840) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110320840
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCc1nnc(-c2ccncc2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O4/c22-16(12-1-2-13-14(9-12)24-10-23-13)19-8-5-15-20-21-17(25-15)11-3-6-18-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,19,22)
InChIKeyIGKPNLKLZNKTEY-UHFFFAOYSA-N
XLogP1.83
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110321850
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110285051
3-phenyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320848
N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 39714352
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 110320787
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110641097
2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320797
2,2-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320792
N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317677
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 110320840) is N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCCc1nnc(-c2ccncc2)o1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IGKPNLKLZNKTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-16(12-1-2-13-14(9-12)24-10-23-13)19-8-5-15-20-21-17(25-15)11-3-6-18-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,19,22).
What are the key properties of N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110320840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).