methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

C18H18N4O3S — CID 144870542

IUPACmethyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCC1=NNC(c2cc(C(=O)OC)cn3c(-c4ccc(C)s4)cnc23)O1
InChIInChI=1S/C18H18N4O3S/c1-4-15-20-21-17(25-15)12-7-11(18(23)24-3)9-22-13(8-19-16(12)22)14-6-5-10(2)26-14/h5-9,17,21H,4H2,1-3H3
InChIKeyKBJDBKYFUOJART-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.50
Rot. Bonds4

About methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 144870542) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID144870542
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Namemethyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCC1=NNC(c2cc(C(=O)OC)cn3c(-c4ccc(C)s4)cnc23)O1
InChIInChI=1S/C18H18N4O3S/c1-4-15-20-21-17(25-15)12-7-11(18(23)24-3)9-22-13(8-19-16(12)22)14-6-5-10(2)26-14/h5-9,17,21H,4H2,1-3H3
InChIKeyKBJDBKYFUOJART-UHFFFAOYSA-N
XLogP3.50
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 144870542) is methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is CCC1=NNC(c2cc(C(=O)OC)cn3c(-c4ccc(C)s4)cnc23)O1.
What is the InChIKey of methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is KBJDBKYFUOJART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-4-15-20-21-17(25-15)12-7-11(18(23)24-3)9-22-13(8-19-16(12)22)14-6-5-10(2)26-14/h5-9,17,21H,4H2,1-3H3.
What are the key properties of methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(5-ethyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 144870542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).