3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one

C11H11N5O2S — CID 136712354

IUPAC3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCc1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C11H11N5O2S/c1-7-6-19-11(17)16(7)5-2-8-14-10(15-18-8)9-12-3-4-13-9/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyHMHOBFAIZFGLDO-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.23
Rot. Bonds4

About 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 136712354) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID136712354
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCc1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C11H11N5O2S/c1-7-6-19-11(17)16(7)5-2-8-14-10(15-18-8)9-12-3-4-13-9/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyHMHOBFAIZFGLDO-UHFFFAOYSA-N
XLogP1.23
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
CID 126796267
3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one
CID 100676425
4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
CID 126824271
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
CID 137219999
3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 137076823
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 63939868
N-[[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 137076816
2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 137012523
[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 136755756
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole
CID 136581987

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one (CID 136712354) is 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCc1nc(-c2ncc[nH]2)no1.
What is the InChIKey of 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is HMHOBFAIZFGLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-7-6-19-11(17)16(7)5-2-8-14-10(15-18-8)9-12-3-4-13-9/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 277.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 136712354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).