5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C18H21N3O — CID 58466609

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 58466609) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
• PubChem CID: 58466609
• Molecular Formula: C18H21N3O
• Molecular Weight: 295.39 g/mol
• Exact Mass: 295.17
• IUPAC Name: 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
• SMILES: CC1=NC2(CCc3cccc(-c4c(C)n[nH]c4C)c3C2)CO1
• InChI: InChI=1S/C18H21N3O/c1-11-17(12(2)21-20-11)15-6-4-5-14-7-8-18(9-16(14)15)10-22-13(3)19-18/h4-6H,7-10H2,1-3H3,(H,20,21)
• InChIKey: LXMMVJVBMAABKN-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 50.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.39
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?

The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 58466609) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?

The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is CC1=NC2(CCc3cccc(-c4c(C)n[nH]c4C)c3C2)CO1.

What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?

The InChIKey is LXMMVJVBMAABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11-17(12(2)21-20-11)15-6-4-5-14-7-8-18(9-16(14)15)10-22-13(3)19-18/h4-6H,7-10H2,1-3H3,(H,20,21).

What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?

5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 295.39 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58466609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).