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

C9H10N4O2 — CID 136666197

IUPAC5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCNCc1nc(-c2ccc(=O)[nH]c2)no1
InChIInChI=1S/C9H10N4O2/c1-10-5-8-12-9(13-15-8)6-2-3-7(14)11-4-6/h2-4,10H,5H2,1H3,(H,11,14)
InChIKeyPCOOPEJTKBVLFG-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.14
Rot. Bonds3

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

5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 136666197) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
PubChem CID136666197
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCNCc1nc(-c2ccc(=O)[nH]c2)no1
InChIInChI=1S/C9H10N4O2/c1-10-5-8-12-9(13-15-8)6-2-3-7(14)11-4-6/h2-4,10H,5H2,1H3,(H,11,14)
InChIKeyPCOOPEJTKBVLFG-UHFFFAOYSA-N
XLogP0.14
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 121199923
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
N-methyl-1-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 91811891
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 137345797
1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999
1-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;hydrochloride
CID 119947800
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066
N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 130517495
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 6460247
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828

Frequently Asked Questions

What is the IUPAC name of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (CID 136666197) is 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is CNCc1nc(-c2ccc(=O)[nH]c2)no1.
What is the InChIKey of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is PCOOPEJTKBVLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-10-5-8-12-9(13-15-8)6-2-3-7(14)11-4-6/h2-4,10H,5H2,1H3,(H,11,14).
What are the key properties of 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 206.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136666197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).