2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide

C22H20FN5O3 — CID 67041303

IUPAC2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide
SMILESCCOCC(=O)Nc1cnc2cccnc2c1NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C22H20FN5O3/c1-2-30-13-20(29)27-19-12-25-17-4-3-9-24-21(17)22(19)26-11-16-10-18(28-31-16)14-5-7-15(23)8-6-14/h3-10,12H,2,11,13H2,1H3,(H,25,26)(H,27,29)
InChIKeyHQZJHLHVCQKXCC-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.01
Rot. Bonds8

About 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide

2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide (PubChem CID 67041303) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide
PubChem CID67041303
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide
SMILESCCOCC(=O)Nc1cnc2cccnc2c1NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C22H20FN5O3/c1-2-30-13-20(29)27-19-12-25-17-4-3-9-24-21(17)22(19)26-11-16-10-18(28-31-16)14-5-7-15(23)8-6-14/h3-10,12H,2,11,13H2,1H3,(H,25,26)(H,27,29)
InChIKeyHQZJHLHVCQKXCC-UHFFFAOYSA-N
XLogP4.01
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide (CID 67041303) is 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide is CCOCC(=O)Nc1cnc2cccnc2c1NCc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide?
The InChIKey is HQZJHLHVCQKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-2-30-13-20(29)27-19-12-25-17-4-3-9-24-21(17)22(19)26-11-16-10-18(28-31-16)14-5-7-15(23)8-6-14/h3-10,12H,2,11,13H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide?
2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide has a molecular weight of 421.43 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-1,5-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 67041303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).