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

C16H18N4O — CID 58467006

IUPAC(2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cnn(C)c3)c1C2
InChIInChI=1S/C16H18N4O/c1-10-16(19-15(17)21-10)6-11-4-3-5-13(14(11)7-16)12-8-18-20(2)9-12/h3-5,8-10H,6-7H2,1-2H3,(H2,17,19)/t10-,16-/m1/s1
InChIKeySLFFIJLVIRVBDO-QLJPJBMISA-N
MW282.35 g/mol
LogP1.66
Rot. Bonds1

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

(2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467006) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467006
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cnn(C)c3)c1C2
InChIInChI=1S/C16H18N4O/c1-10-16(19-15(17)21-10)6-11-4-3-5-13(14(11)7-16)12-8-18-20(2)9-12/h3-5,8-10H,6-7H2,1-2H3,(H2,17,19)/t10-,16-/m1/s1
InChIKeySLFFIJLVIRVBDO-QLJPJBMISA-N
XLogP1.66
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58467006) is (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cnn(C)c3)c1C2.
What is the InChIKey of (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is SLFFIJLVIRVBDO-QLJPJBMISA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-16(19-15(17)21-10)6-11-4-3-5-13(14(11)7-16)12-8-18-20(2)9-12/h3-5,8-10H,6-7H2,1-2H3,(H2,17,19)/t10-,16-/m1/s1.
What are the key properties of (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
(2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 282.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5'R)-5'-methyl-4-(1-methylpyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).