1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one

C13H15N3O3 — CID 113365700

IUPAC1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1nc(-c2ncc(C)cc2C)no1
InChIInChI=1S/C13H15N3O3/c1-8-4-9(2)12(14-6-8)13-15-11(19-16-13)5-10(17)7-18-3/h4,6H,5,7H2,1-3H3
InChIKeyOVASLJMYYUNPRL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.51
Rot. Bonds5

About 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one

1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one (PubChem CID 113365700) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
PubChem CID113365700
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1nc(-c2ncc(C)cc2C)no1
InChIInChI=1S/C13H15N3O3/c1-8-4-9(2)12(14-6-8)13-15-11(19-16-13)5-10(17)7-18-3/h4,6H,5,7H2,1-3H3
InChIKeyOVASLJMYYUNPRL-UHFFFAOYSA-N
XLogP1.51
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 169161500
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 114015496
1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63344557
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526680
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
3-(3,5-dimethyl-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655604
1-methoxy-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344715
1-methoxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65143742
1-methoxy-3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344926
1-methoxy-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344520
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one
CID 63346911
1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 113365455

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
The IUPAC name of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one (CID 113365700) is 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one is COCC(=O)Cc1nc(-c2ncc(C)cc2C)no1.
What is the InChIKey of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
The InChIKey is OVASLJMYYUNPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-4-9(2)12(14-6-8)13-15-11(19-16-13)5-10(17)7-18-3/h4,6H,5,7H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one is sourced from PubChem (CID 113365700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).