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

C18H19N3O — CID 58466754

IUPAC(2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1cnccc1-c1cccc2c1C[C@@]1(C2)N=C(N)O[C@@H]1C
InChIInChI=1S/C18H19N3O/c1-11-10-20-7-6-14(11)15-5-3-4-13-8-18(9-16(13)15)12(2)22-17(19)21-18/h3-7,10,12H,8-9H2,1-2H3,(H2,19,21)/t12-,18-/m1/s1
InChIKeyWVHWKEIJHHHUHC-KZULUSFZSA-N
MW293.37 g/mol
LogP2.63
Rot. Bonds1

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

(2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466754) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466754
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1cnccc1-c1cccc2c1C[C@@]1(C2)N=C(N)O[C@@H]1C
InChIInChI=1S/C18H19N3O/c1-11-10-20-7-6-14(11)15-5-3-4-13-8-18(9-16(13)15)12(2)22-17(19)21-18/h3-7,10,12H,8-9H2,1-2H3,(H2,19,21)/t12-,18-/m1/s1
InChIKeyWVHWKEIJHHHUHC-KZULUSFZSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58466754) is (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is Cc1cnccc1-c1cccc2c1C[C@@]1(C2)N=C(N)O[C@@H]1C.
What is the InChIKey of (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is WVHWKEIJHHHUHC-KZULUSFZSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-10-20-7-6-14(11)15-5-3-4-13-8-18(9-16(13)15)12(2)22-17(19)21-18/h3-7,10,12H,8-9H2,1-2H3,(H2,19,21)/t12-,18-/m1/s1.
What are the key properties of (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
(2R,5'R)-5'-methyl-4-(3-methyl-4-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 (2R,5'R)-5'-methyl-4-(3-methyl-4-pyridinyl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).