1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one

C12H13N3O3 — CID 97416378

IUPAC1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCn1cc(-c2noc([C@H]3CCOC3)n2)ccc1=O
InChIInChI=1S/C12H13N3O3/c1-15-6-8(2-3-10(15)16)11-13-12(18-14-11)9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyCMDCZQMYOBULHI-VIFPVBQESA-N
MW247.25 g/mol
LogP0.94
Rot. Bonds2

About 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one

1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 97416378) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID97416378
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCn1cc(-c2noc([C@H]3CCOC3)n2)ccc1=O
InChIInChI=1S/C12H13N3O3/c1-15-6-8(2-3-10(15)16)11-13-12(18-14-11)9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyCMDCZQMYOBULHI-VIFPVBQESA-N
XLogP0.94
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one with MolForge

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Related Compounds

2-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]aniline
CID 178051547
1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
CID 53156543
4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 136535361
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420051
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 95276072
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 77093531
3-(3-methyl-5-nitroimidazol-4-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 100676091
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473823
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 97416378) is 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is Cn1cc(-c2noc([C@H]3CCOC3)n2)ccc1=O.
What is the InChIKey of 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is CMDCZQMYOBULHI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-6-8(2-3-10(15)16)11-13-12(18-14-11)9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1.
What are the key properties of 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 247.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 97416378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).