4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C11H14N4O2 — CID 114039877

IUPAC4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCCCNCc1nnc(-c2cc[nH]c(=O)c2)o1
InChIInChI=1S/C11H14N4O2/c1-2-4-12-7-10-14-15-11(17-10)8-3-5-13-9(16)6-8/h3,5-6,12H,2,4,7H2,1H3,(H,13,16)
InChIKeyUMTNNKXSIFDZHB-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.92
Rot. Bonds5

About 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 114039877) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID114039877
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCCCNCc1nnc(-c2cc[nH]c(=O)c2)o1
InChIInChI=1S/C11H14N4O2/c1-2-4-12-7-10-14-15-11(17-10)8-3-5-13-9(16)6-8/h3,5-6,12H,2,4,7H2,1H3,(H,13,16)
InChIKeyUMTNNKXSIFDZHB-UHFFFAOYSA-N
XLogP0.92
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
N-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81285040
N-[[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137567
4-[5-[1-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 114039886
N-[[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138861
N-[[5-(3-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137210
N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137390
N-[[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 79084042
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60672012
N-[[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139410
N-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137383

Frequently Asked Questions

What is the IUPAC name of 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 114039877) is 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CCCNCc1nnc(-c2cc[nH]c(=O)c2)o1.
What is the InChIKey of 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is UMTNNKXSIFDZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-4-12-7-10-14-15-11(17-10)8-3-5-13-9(16)6-8/h3,5-6,12H,2,4,7H2,1H3,(H,13,16).
What are the key properties of 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 114039877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).