(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

C18H16N4O3S — CID 38178559

IUPAC(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCc1ccc2nc(COC(=O)CCc3nc(-c4ccsc4)no3)cn2c1
InChIInChI=1S/C18H16N4O3S/c1-12-2-3-15-19-14(9-22(15)8-12)10-24-17(23)5-4-16-20-18(21-25-16)13-6-7-26-11-13/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyVOBFJUWPJGCXSG-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.43
Rot. Bonds6

About (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 38178559) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID38178559
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCc1ccc2nc(COC(=O)CCc3nc(-c4ccsc4)no3)cn2c1
InChIInChI=1S/C18H16N4O3S/c1-12-2-3-15-19-14(9-22(15)8-12)10-24-17(23)5-4-16-20-18(21-25-16)13-6-7-26-11-13/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyVOBFJUWPJGCXSG-UHFFFAOYSA-N
XLogP3.43
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 134042328
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 40711973
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CID 94051397
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117129
1-(2-ethylmorpholin-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51077010
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(pyrimidin-2-ylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 38178559) is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is Cc1ccc2nc(COC(=O)CCc3nc(-c4ccsc4)no3)cn2c1.
What is the InChIKey of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is VOBFJUWPJGCXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12-2-3-15-19-14(9-22(15)8-12)10-24-17(23)5-4-16-20-18(21-25-16)13-6-7-26-11-13/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 368.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 38178559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).