N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 72866401

IUPACN-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC(C)Cc2cccc(C)n2)o1
InChIInChI=1S/C14H20N4O/c1-4-6-13-17-18-14(19-13)16-11(3)9-12-8-5-7-10(2)15-12/h5,7-8,11H,4,6,9H2,1-3H3,(H,16,18)
InChIKeyOYBRAONQDIQFDK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72866401) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72866401
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC(C)Cc2cccc(C)n2)o1
InChIInChI=1S/C14H20N4O/c1-4-6-13-17-18-14(19-13)16-11(3)9-12-8-5-7-10(2)15-12/h5,7-8,11H,4,6,9H2,1-3H3,(H,16,18)
InChIKeyOYBRAONQDIQFDK-UHFFFAOYSA-N
XLogP2.77
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 72866401) is N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC(C)Cc2cccc(C)n2)o1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is OYBRAONQDIQFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-6-13-17-18-14(19-13)16-11(3)9-12-8-5-7-10(2)15-12/h5,7-8,11H,4,6,9H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72866401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).