5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 86782926

IUPAC5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(CCC(C)C)o2)nc1
InChIInChI=1S/C14H20N4O/c1-10(2)4-7-13-17-18-14(19-13)16-9-12-6-5-11(3)8-15-12/h5-6,8,10H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyCRWBIGHDJIMSFP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.97
Rot. Bonds6

About 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86782926) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86782926
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(CCC(C)C)o2)nc1
InChIInChI=1S/C14H20N4O/c1-10(2)4-7-13-17-18-14(19-13)16-9-12-6-5-11(3)8-15-12/h5-6,8,10H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyCRWBIGHDJIMSFP-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 86782926) is 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(CNc2nnc(CCC(C)C)o2)nc1.
What is the InChIKey of 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CRWBIGHDJIMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)4-7-13-17-18-14(19-13)16-9-12-6-5-11(3)8-15-12/h5-6,8,10H,4,7,9H2,1-3H3,(H,16,18).
What are the key properties of 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).