N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine

C24H33N5O2 — CID 2526579

IUPACN',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cn1
InChIInChI=1S/C24H33N5O2/c1-5-29(6-2)15-7-14-25-22-13-10-20(16-26-22)24-28-27-23(31-24)19-8-11-21(12-9-19)30-17-18(3)4/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,26)
InChIKeyUYLNSTPDYDTTCZ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.98
Rot. Bonds12

About N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine

N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine (PubChem CID 2526579) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine
PubChem CID2526579
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cn1
InChIInChI=1S/C24H33N5O2/c1-5-29(6-2)15-7-14-25-22-13-10-20(16-26-22)24-28-27-23(31-24)19-8-11-21(12-9-19)30-17-18(3)4/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,26)
InChIKeyUYLNSTPDYDTTCZ-UHFFFAOYSA-N
XLogP4.98
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine (CID 2526579) is N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine is CCN(CC)CCCNc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cn1.
What is the InChIKey of N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine?
The InChIKey is UYLNSTPDYDTTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-5-29(6-2)15-7-14-25-22-13-10-20(16-26-22)24-28-27-23(31-24)19-8-11-21(12-9-19)30-17-18(3)4/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,26).
What are the key properties of N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine?
N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine has a molecular weight of 423.56 g/mol, XLogP of 4.98, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[5-[5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 2526579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).