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

C17H16FN3O — CID 76794791

IUPAC8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESNC1=NC2(CCc3c(cccc3-c3ccnc(F)c3)C2)CO1
InChIInChI=1S/C17H16FN3O/c18-15-8-11(5-7-20-15)13-3-1-2-12-9-17(6-4-14(12)13)10-22-16(19)21-17/h1-3,5,7-8H,4,6,9-10H2,(H2,19,21)
InChIKeySXXADDDVYYYOCL-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.46
Rot. Bonds1

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

8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 76794791) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID76794791
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESNC1=NC2(CCc3c(cccc3-c3ccnc(F)c3)C2)CO1
InChIInChI=1S/C17H16FN3O/c18-15-8-11(5-7-20-15)13-3-1-2-12-9-17(6-4-14(12)13)10-22-16(19)21-17/h1-3,5,7-8H,4,6,9-10H2,(H2,19,21)
InChIKeySXXADDDVYYYOCL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466894
(5S)-8'-(1-benzofuran-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-2',3'-dimethyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(3S)-8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;(5S)-8'-(furan-3-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-2'-methyl-8-(4-phenylphenyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(5S)-2-methyl-8'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyridin-4-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-thiophen-2-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
CID 158227330
(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467273
2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol
CID 58466630
2'-methyl-8-(6-methylpyrazin-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466941
(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886
8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 136504311
(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467312
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-N-ethyl-1-methylsulfonylformamide
CID 91294112
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide
CID 70230307

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 76794791) is 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is NC1=NC2(CCc3c(cccc3-c3ccnc(F)c3)C2)CO1.
What is the InChIKey of 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is SXXADDDVYYYOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-15-8-11(5-7-20-15)13-3-1-2-12-9-17(6-4-14(12)13)10-22-16(19)21-17/h1-3,5,7-8H,4,6,9-10H2,(H2,19,21).
What are the key properties of 8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-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-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 76794791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).