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

C12H16N4O2 — CID 136710837

IUPAC5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCC(C)NCCc1nnc(-c2ccc(=O)[nH]c2)o1
InChIInChI=1S/C12H16N4O2/c1-8(2)13-6-5-11-15-16-12(18-11)9-3-4-10(17)14-7-9/h3-4,7-8,13H,5-6H2,1-2H3,(H,14,17)
InChIKeyDNVWMOFMLDLGGR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.97
Rot. Bonds5

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

5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 136710837) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID136710837
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCC(C)NCCc1nnc(-c2ccc(=O)[nH]c2)o1
InChIInChI=1S/C12H16N4O2/c1-8(2)13-6-5-11-15-16-12(18-11)9-3-4-10(17)14-7-9/h3-4,7-8,13H,5-6H2,1-2H3,(H,14,17)
InChIKeyDNVWMOFMLDLGGR-UHFFFAOYSA-N
XLogP0.97
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164161
3-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one
CID 136966625
5-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 136710833
N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163275
N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107965633
N-[2-[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163806
N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
4-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62136931
3-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 79206312

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 136710837) is 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CC(C)NCCc1nnc(-c2ccc(=O)[nH]c2)o1.
What is the InChIKey of 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is DNVWMOFMLDLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)13-6-5-11-15-16-12(18-11)9-3-4-10(17)14-7-9/h3-4,7-8,13H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136710837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).