imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate

C16H17N3O3S — CID 7250479

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
SMILESCc1noc(C)c1CSCC(=O)OCc1cn2ccccc2n1
InChIInChI=1S/C16H17N3O3S/c1-11-14(12(2)22-18-11)9-23-10-16(20)21-8-13-7-19-6-4-3-5-15(19)17-13/h3-7H,8-10H2,1-2H3
InChIKeyDRNPINBTURTYOV-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.92
Rot. Bonds6

About imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate

imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (PubChem CID 7250479) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
PubChem CID7250479
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
SMILESCc1noc(C)c1CSCC(=O)OCc1cn2ccccc2n1
InChIInChI=1S/C16H17N3O3S/c1-11-14(12(2)22-18-11)9-23-10-16(20)21-8-13-7-19-6-4-3-5-15(19)17-13/h3-7H,8-10H2,1-2H3
InChIKeyDRNPINBTURTYOV-UHFFFAOYSA-N
XLogP2.92
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate with MolForge

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Related Compounds

imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
CID 90480627
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 8897600
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 18278504
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362480
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362332
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanoate
CID 95345703
[2-(2-nitroanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362599
imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7250978
imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
CID 7625039
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (CID 7250479) is imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is Cc1noc(C)c1CSCC(=O)OCc1cn2ccccc2n1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The InChIKey is DRNPINBTURTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-14(12(2)22-18-11)9-23-10-16(20)21-8-13-7-19-6-4-3-5-15(19)17-13/h3-7H,8-10H2,1-2H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate has a molecular weight of 331.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 7250479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).