5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

C18H19N3O — CID 76794835

IUPAC5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1ncccc1-c1cccc2c1CC1(C2)N=C(N)OC1C
InChIInChI=1S/C18H19N3O/c1-11-14(7-4-8-20-11)15-6-3-5-13-9-18(10-16(13)15)12(2)22-17(19)21-18/h3-8,12H,9-10H2,1-2H3,(H2,19,21)
InChIKeyPYMUULHKSNXDKE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.63
Rot. Bonds1

About 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 76794835) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID76794835
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1ncccc1-c1cccc2c1CC1(C2)N=C(N)OC1C
InChIInChI=1S/C18H19N3O/c1-11-14(7-4-8-20-11)15-6-3-5-13-9-18(10-16(13)15)12(2)22-17(19)21-18/h3-8,12H,9-10H2,1-2H3,(H2,19,21)
InChIKeyPYMUULHKSNXDKE-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466754
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)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466740
(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)-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
3-(3,4-dihydro-2H-chromen-8-yl)-2-methylpyridine;methanamine
CID 165409090
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787
bis(2,3-dimethylpyridine);ethane
CID 159594018
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
7-(2-methyl-3-pyridinyl)-1,6-naphthyridin-5-amine
CID 23467683
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 76794791

Frequently Asked Questions

What is the IUPAC name of 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 76794835) is 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is Cc1ncccc1-c1cccc2c1CC1(C2)N=C(N)OC1C.
What is the InChIKey of 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is PYMUULHKSNXDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-14(7-4-8-20-11)15-6-3-5-13-9-18(10-16(13)15)12(2)22-17(19)21-18/h3-8,12H,9-10H2,1-2H3,(H2,19,21).
What are the key properties of 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 293.37 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-4-(2-methyl-3-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 76794835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).