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

C15H22N4O — CID 62340684

IUPAC2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
SMILESCc1cccnc1-c1nnc(CCCNC(C)(C)C)o1
InChIInChI=1S/C15H22N4O/c1-11-7-5-9-16-13(11)14-19-18-12(20-14)8-6-10-17-15(2,3)4/h5,7,9,17H,6,8,10H2,1-4H3
InChIKeyGCMQQRBDTZVPLJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.76
Rot. Bonds5

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

2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine (PubChem CID 62340684) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
PubChem CID62340684
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
SMILESCc1cccnc1-c1nnc(CCCNC(C)(C)C)o1
InChIInChI=1S/C15H22N4O/c1-11-7-5-9-16-13(11)14-19-18-12(20-14)8-6-10-17-15(2,3)4/h5,7,9,17H,6,8,10H2,1-4H3
InChIKeyGCMQQRBDTZVPLJ-UHFFFAOYSA-N
XLogP2.76
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine (CID 62340684) is 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine is Cc1cccnc1-c1nnc(CCCNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
The InChIKey is GCMQQRBDTZVPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-7-5-9-16-13(11)14-19-18-12(20-14)8-6-10-17-15(2,3)4/h5,7,9,17H,6,8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine?
2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine is sourced from PubChem (CID 62340684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).