(3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C17H19N3O — CID 58466768

IUPAC(3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=N[C@@]2(CCc3c(cccc3-c3ccnn3C)C2)CO1
InChIInChI=1S/C17H19N3O/c1-12-19-17(11-21-12)8-6-14-13(10-17)4-3-5-15(14)16-7-9-18-20(16)2/h3-5,7,9H,6,8,10-11H2,1-2H3/t17-/m1/s1
InChIKeyIIDBSVKKSGPZCW-QGZVFWFLSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds1

About (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

(3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 58466768) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name(3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID58466768
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=N[C@@]2(CCc3c(cccc3-c3ccnn3C)C2)CO1
InChIInChI=1S/C17H19N3O/c1-12-19-17(11-21-12)8-6-14-13(10-17)4-3-5-15(14)16-7-9-18-20(16)2/h3-5,7,9H,6,8,10-11H2,1-2H3/t17-/m1/s1
InChIKeyIIDBSVKKSGPZCW-QGZVFWFLSA-N
XLogP2.76
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 58466768) is (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is CC1=N[C@@]2(CCc3c(cccc3-c3ccnn3C)C2)CO1.
What is the InChIKey of (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is IIDBSVKKSGPZCW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-19-17(11-21-12)8-6-14-13(10-17)4-3-5-15(14)16-7-9-18-20(16)2/h3-5,7,9H,6,8,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
(3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 281.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58466768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).