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

C15H16N4O — CID 58466740

IUPAC(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cn[nH]c3)c1C2
InChIInChI=1S/C15H16N4O/c1-9-15(19-14(16)20-9)5-10-3-2-4-12(13(10)6-15)11-7-17-18-8-11/h2-4,7-9H,5-6H2,1H3,(H2,16,19)(H,17,18)/t9-,15-/m1/s1
InChIKeyJHLCKBLFRKVUQK-RFAUZJTJSA-N
MW268.32 g/mol
LogP1.65
Rot. Bonds1

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

(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466740) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466740
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cn[nH]c3)c1C2
InChIInChI=1S/C15H16N4O/c1-9-15(19-14(16)20-9)5-10-3-2-4-12(13(10)6-15)11-7-17-18-8-11/h2-4,7-9H,5-6H2,1H3,(H2,16,19)(H,17,18)/t9-,15-/m1/s1
InChIKeyJHLCKBLFRKVUQK-RFAUZJTJSA-N
XLogP1.65
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58466740) is (2R,5'R)-5'-methyl-4-(1H-pyrazol-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-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cn[nH]c3)c1C2.
What is the InChIKey of (2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is JHLCKBLFRKVUQK-RFAUZJTJSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-15(19-14(16)20-9)5-10-3-2-4-12(13(10)6-15)11-7-17-18-8-11/h2-4,7-9H,5-6H2,1H3,(H2,16,19)(H,17,18)/t9-,15-/m1/s1.
What are the key properties of (2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 268.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).