ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

C18H16FN3O4 — CID 44824405

IUPACethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)nc2onc(-c3ccccc3F)c12
InChIInChI=1S/C18H16FN3O4/c1-3-25-14(23)9-20-17(24)12-8-10(2)21-18-15(12)16(22-26-18)11-6-4-5-7-13(11)19/h4-8H,3,9H2,1-2H3,(H,20,24)
InChIKeyJXMOJDNQWNNBPD-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (PubChem CID 44824405) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
PubChem CID44824405
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Nameethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)nc2onc(-c3ccccc3F)c12
InChIInChI=1S/C18H16FN3O4/c1-3-25-14(23)9-20-17(24)12-8-10(2)21-18-15(12)16(22-26-18)11-6-4-5-7-13(11)19/h4-8H,3,9H2,1-2H3,(H,20,24)
InChIKeyJXMOJDNQWNNBPD-UHFFFAOYSA-N
XLogP2.63
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (CID 44824405) is ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1cc(C)nc2onc(-c3ccccc3F)c12.
What is the InChIKey of ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The InChIKey is JXMOJDNQWNNBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-3-25-14(23)9-20-17(24)12-8-10(2)21-18-15(12)16(22-26-18)11-6-4-5-7-13(11)19/h4-8H,3,9H2,1-2H3,(H,20,24).
What are the key properties of ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate has a molecular weight of 357.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is sourced from PubChem (CID 44824405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).