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

C17H19N3O2 — CID 58466956

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1noc(C)c1-c1cccc2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C17H19N3O2/c1-10-15(11(2)22-20-10)13-5-3-4-12-6-7-17(8-14(12)13)9-21-16(18)19-17/h3-5H,6-9H2,1-2H3,(H2,18,19)
InChIKeyMRASVIYNUOFMTK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.53
Rot. Bonds1

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466956) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466956
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCc1noc(C)c1-c1cccc2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C17H19N3O2/c1-10-15(11(2)22-20-10)13-5-3-4-12-6-7-17(8-14(12)13)9-21-16(18)19-17/h3-5H,6-9H2,1-2H3,(H2,18,19)
InChIKeyMRASVIYNUOFMTK-UHFFFAOYSA-N
XLogP2.53
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58466956) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is Cc1noc(C)c1-c1cccc2c1CC1(CC2)COC(N)=N1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is MRASVIYNUOFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10-15(11(2)22-20-10)13-5-3-4-12-6-7-17(8-14(12)13)9-21-16(18)19-17/h3-5H,6-9H2,1-2H3,(H2,18,19).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 297.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).