(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C18H19N3O — CID 58466886

IUPAC(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12CCc1c(cccc1-c1cccnc1)C2
InChIInChI=1S/C18H19N3O/c1-12-18(21-17(19)22-12)8-7-16-13(10-18)4-2-6-15(16)14-5-3-9-20-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H2,19,21)/t12-,18-/m1/s1
InChIKeyKQIDICQGJMBDLU-KZULUSFZSA-N
MW293.37 g/mol
LogP2.71
Rot. Bonds1

About (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466886) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466886
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12CCc1c(cccc1-c1cccnc1)C2
InChIInChI=1S/C18H19N3O/c1-12-18(21-17(19)22-12)8-7-16-13(10-18)4-2-6-15(16)14-5-3-9-20-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H2,19,21)/t12-,18-/m1/s1
InChIKeyKQIDICQGJMBDLU-KZULUSFZSA-N
XLogP2.71
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466740
5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 76794835
8'-pyridin-3-ylspiro[1,3-oxazolidine-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 123860567
(2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58467009
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
4-cyclopenta-1,4-dien-1-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 91456304
(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 159027905
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
N,N-dimethyl-5-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25070235
7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 122183618
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414

Frequently Asked Questions

What is the IUPAC name of (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58466886) is (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is C[C@H]1OC(N)=N[C@@]12CCc1c(cccc1-c1cccnc1)C2.
What is the InChIKey of (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is KQIDICQGJMBDLU-KZULUSFZSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-18(21-17(19)22-12)8-7-16-13(10-18)4-2-6-15(16)14-5-3-9-20-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H2,19,21)/t12-,18-/m1/s1.
What are the key properties of (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 293.37 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).