5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole

C26H27FN4O2 — CID 177226839

IUPAC5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCOc1ccc2ncc(F)c(CCN3CCC(c4cnc(-c5ccc(C)cc5)o4)CC3)c2n1
InChIInChI=1S/C26H27FN4O2/c1-17-3-5-19(6-4-17)26-29-16-23(33-26)18-9-12-31(13-10-18)14-11-20-21(27)15-28-22-7-8-24(32-2)30-25(20)22/h3-8,15-16,18H,9-14H2,1-2H3
InChIKeyBBFBUQILPHSIPI-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.16
Rot. Bonds6

About 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole

5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 177226839) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole
PubChem CID177226839
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCOc1ccc2ncc(F)c(CCN3CCC(c4cnc(-c5ccc(C)cc5)o4)CC3)c2n1
InChIInChI=1S/C26H27FN4O2/c1-17-3-5-19(6-4-17)26-29-16-23(33-26)18-9-12-31(13-10-18)14-11-20-21(27)15-28-22-7-8-24(32-2)30-25(20)22/h3-8,15-16,18H,9-14H2,1-2H3
InChIKeyBBFBUQILPHSIPI-UHFFFAOYSA-N
XLogP5.16
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole (CID 177226839) is 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole is COc1ccc2ncc(F)c(CCN3CCC(c4cnc(-c5ccc(C)cc5)o4)CC3)c2n1.
What is the InChIKey of 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is BBFBUQILPHSIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-17-3-5-19(6-4-17)26-29-16-23(33-26)18-9-12-31(13-10-18)14-11-20-21(27)15-28-22-7-8-24(32-2)30-25(20)22/h3-8,15-16,18H,9-14H2,1-2H3.
What are the key properties of 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole?
5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 446.53 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 177226839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).