(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C21H17F2N3O3 — CID 55563499

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1cccn2cc(COC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)nc12
InChIInChI=1S/C21H17F2N3O3/c1-13-3-2-8-26-11-15(25-21(13)26)12-28-20(27)7-6-19-24-10-18(29-19)16-5-4-14(22)9-17(16)23/h2-5,8-11H,6-7,12H2,1H3
InChIKeyVVANMUUXCUTHHW-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.25
Rot. Bonds6

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 55563499) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID55563499
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1cccn2cc(COC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)nc12
InChIInChI=1S/C21H17F2N3O3/c1-13-3-2-8-26-11-15(25-21(13)26)12-28-20(27)7-6-19-24-10-18(29-19)16-5-4-14(22)9-17(16)23/h2-5,8-11H,6-7,12H2,1H3
InChIKeyVVANMUUXCUTHHW-UHFFFAOYSA-N
XLogP4.25
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 55563499) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is Cc1cccn2cc(COC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)nc12.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is VVANMUUXCUTHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c1-13-3-2-8-26-11-15(25-21(13)26)12-28-20(27)7-6-19-24-10-18(29-19)16-5-4-14(22)9-17(16)23/h2-5,8-11H,6-7,12H2,1H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 397.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 55563499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).