8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine

C17H16FN3O — CID 51352141

IUPAC8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
SMILESNC1=NCC2(CCc3c(cccc3-c3cncc(F)c3)C2)O1
InChIInChI=1S/C17H16FN3O/c18-13-6-12(8-20-9-13)14-3-1-2-11-7-17(5-4-15(11)14)10-21-16(19)22-17/h1-3,6,8-9H,4-5,7,10H2,(H2,19,21)
InChIKeyNAWOUZJEMVXZDT-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.46
Rot. Bonds1

About 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine

8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 51352141) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID51352141
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
SMILESNC1=NCC2(CCc3c(cccc3-c3cncc(F)c3)C2)O1
InChIInChI=1S/C17H16FN3O/c18-13-6-12(8-20-9-13)14-3-1-2-11-7-17(5-4-15(11)14)10-21-16(19)22-17/h1-3,6,8-9H,4-5,7,10H2,(H2,19,21)
InChIKeyNAWOUZJEMVXZDT-UHFFFAOYSA-N
XLogP2.46
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine (CID 51352141) is 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine is NC1=NCC2(CCc3c(cccc3-c3cncc(F)c3)C2)O1.
What is the InChIKey of 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is NAWOUZJEMVXZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-13-6-12(8-20-9-13)14-3-1-2-11-7-17(5-4-15(11)14)10-21-16(19)22-17/h1-3,6,8-9H,4-5,7,10H2,(H2,19,21).
What are the key properties of 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 297.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 51352141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).