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

C16H17N3O — CID 58467009

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

(2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467009) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

• Compound Name: (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
• PubChem CID: 58467009
• Molecular Formula: C16H17N3O
• Molecular Weight: 267.33 g/mol
• Exact Mass: 267.14
• IUPAC Name: (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
• SMILES: C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cc[nH]c3)c1C2
• InChI: InChI=1S/C16H17N3O/c1-10-16(19-15(17)20-10)7-11-3-2-4-13(14(11)8-16)12-5-6-18-9-12/h2-6,9-10,18H,7-8H2,1H3,(H2,17,19)/t10-,16-/m1/s1
• InChIKey: XXHXRPCOCYRFQP-QLJPJBMISA-N
• XLogP: 2.25
• TPSA: 63.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.33
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?

The IUPAC name of (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58467009) is (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-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-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?

The canonical SMILES for (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cc[nH]c3)c1C2.

What is the InChIKey of (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?

The InChIKey is XXHXRPCOCYRFQP-QLJPJBMISA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-16(19-15(17)20-10)7-11-3-2-4-13(14(11)8-16)12-5-6-18-9-12/h2-6,9-10,18H,7-8H2,1H3,(H2,17,19)/t10-,16-/m1/s1.

What are the key properties of (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?

(2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 267.33 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).