3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one

C15H13N5O2S — CID 100676425

IUPAC3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCc1nc(-c2cccn3ccnc23)no1
InChIInChI=1S/C15H13N5O2S/c1-10-9-23-15(21)20(10)7-4-12-17-13(18-22-12)11-3-2-6-19-8-5-16-14(11)19/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyLBZSBBJFJDWWLP-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.16
Rot. Bonds4

About 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 100676425) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID100676425
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCc1nc(-c2cccn3ccnc23)no1
InChIInChI=1S/C15H13N5O2S/c1-10-9-23-15(21)20(10)7-4-12-17-13(18-22-12)11-3-2-6-19-8-5-16-14(11)19/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyLBZSBBJFJDWWLP-UHFFFAOYSA-N
XLogP2.16
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 136712354
4-methyl-3-[2-[3-(1-methylsulfanylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
CID 126824271
5-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole;hydrate;hydrochloride
CID 19882447
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 121199923
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55515234
3-[3-(1-ethyl-6-methyl-2-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 50748679
5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859081
5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one
CID 86777841
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
CID 50758417

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 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) is 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCc1nc(-c2cccn3ccnc23)no1.
What is the InChIKey of 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is LBZSBBJFJDWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-10-9-23-15(21)20(10)7-4-12-17-13(18-22-12)11-3-2-6-19-8-5-16-14(11)19/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 327.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-imidazo[1,2-a]pyridin-8-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 100676425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).