2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine

C17H15FN2O — CID 21450334

IUPAC2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3cc(F)c4c(c3)CCCC4)nc2n1
InChIInChI=1S/C17H15FN2O/c1-10-6-7-15-16(19-10)20-17(21-15)12-8-11-4-2-3-5-13(11)14(18)9-12/h6-9H,2-5H2,1H3
InChIKeySKSHOAWTHTXAAW-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.22
Rot. Bonds1

About 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine

2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 21450334) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID21450334
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccc2oc(-c3cc(F)c4c(c3)CCCC4)nc2n1
InChIInChI=1S/C17H15FN2O/c1-10-6-7-15-16(19-10)20-17(21-15)12-8-11-4-2-3-5-13(11)14(18)9-12/h6-9H,2-5H2,1H3
InChIKeySKSHOAWTHTXAAW-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine (CID 21450334) is 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine is Cc1ccc2oc(-c3cc(F)c4c(c3)CCCC4)nc2n1.
What is the InChIKey of 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is SKSHOAWTHTXAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-6-7-15-16(19-10)20-17(21-15)12-8-11-4-2-3-5-13(11)14(18)9-12/h6-9H,2-5H2,1H3.
What are the key properties of 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine?
2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 282.32 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 21450334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).