8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C18H20N2O2 — CID 58467179

IUPAC8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CCc3c(cccc3-c3c(C)noc3C)C2)CO1
InChIInChI=1S/C18H20N2O2/c1-11-17(12(2)22-20-11)16-6-4-5-14-9-18(8-7-15(14)16)10-21-13(3)19-18/h4-6H,7-10H2,1-3H3
InChIKeyIGIMQDDIAPLUTI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.63
Rot. Bonds1

About 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 58467179) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID58467179
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CCc3c(cccc3-c3c(C)noc3C)C2)CO1
InChIInChI=1S/C18H20N2O2/c1-11-17(12(2)22-20-11)16-6-4-5-14-9-18(8-7-15(14)16)10-21-13(3)19-18/h4-6H,7-10H2,1-3H3
InChIKeyIGIMQDDIAPLUTI-UHFFFAOYSA-N
XLogP3.63
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 58467179) is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is CC1=NC2(CCc3c(cccc3-c3c(C)noc3C)C2)CO1.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is IGIMQDDIAPLUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-17(12(2)22-20-11)16-6-4-5-14-9-18(8-7-15(14)16)10-21-13(3)19-18/h4-6H,7-10H2,1-3H3.
What are the key properties of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 296.37 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58467179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).