5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H14N4O — CID 86782597

IUPAC5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cccnc2)o1
InChIInChI=1S/C11H14N4O/c1-2-4-10-14-15-11(16-10)13-8-9-5-3-6-12-7-9/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyPPBKVAZEHGWAEQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.03
Rot. Bonds5

About 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86782597) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID86782597
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cccnc2)o1
InChIInChI=1S/C11H14N4O/c1-2-4-10-14-15-11(16-10)13-8-9-5-3-6-12-7-9/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyPPBKVAZEHGWAEQ-UHFFFAOYSA-N
XLogP2.03
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-butyryl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970872
1-acetyl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971081
N-ethyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 10511869
N-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 21862226
2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 45824007
2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 47036224
N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 51101617
5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 84596881
N-pentyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 145954628
N-octyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 145956952
N-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 145960005
N-propyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 145961005

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 86782597) is 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2cccnc2)o1.
What is the InChIKey of 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PPBKVAZEHGWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-4-10-14-15-11(16-10)13-8-9-5-3-6-12-7-9/h3,5-7H,2,4,8H2,1H3,(H,13,15).
What are the key properties of 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).