(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C17H17NO2 — CID 58466894

IUPAC(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=N[C@]2(CCc3c(cccc3-c3ccoc3)C2)CO1
InChIInChI=1S/C17H17NO2/c1-12-18-17(11-20-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-19-10-14/h2-4,6,8,10H,5,7,9,11H2,1H3/t17-/m0/s1
InChIKeyBUJXJQABNCCXHY-KRWDZBQOSA-N
MW267.33 g/mol
LogP3.62
Rot. Bonds1

About (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 58466894) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID58466894
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=N[C@]2(CCc3c(cccc3-c3ccoc3)C2)CO1
InChIInChI=1S/C17H17NO2/c1-12-18-17(11-20-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-19-10-14/h2-4,6,8,10H,5,7,9,11H2,1H3/t17-/m0/s1
InChIKeyBUJXJQABNCCXHY-KRWDZBQOSA-N
XLogP3.62
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] with MolForge

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Related Compounds

2'-methyl-8-(6-methylpyrazin-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466941
5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466609
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 76794791
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
[(2S)-2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl]methanol;(3S)-8-bromo-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];1,1,1-trimethoxyethane
CID 159029419
2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
CID 70228450
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole];6-(4,6-dimethylpyrimidin-5-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];8-methoxy-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-6-pyridazin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 159521344
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58467047
2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466946
3'-ethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
CID 58466910
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 58466894) is (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is CC1=N[C@]2(CCc3c(cccc3-c3ccoc3)C2)CO1.
What is the InChIKey of (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is BUJXJQABNCCXHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-18-17(11-20-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-19-10-14/h2-4,6,8,10H,5,7,9,11H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 267.33 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58466894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).