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

C18H21N3O3 — CID 58467102

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2c(C)noc2C)c2c1CCC1(COC(N)=N1)C2
InChIInChI=1S/C18H21N3O3/c1-10-16(11(2)24-21-10)13-4-5-15(22-3)12-6-7-18(8-14(12)13)9-23-17(19)20-18/h4-5H,6-9H2,1-3H3,(H2,19,20)
InChIKeySIPWQYVCHJDMSZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.54
Rot. Bonds2

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467102) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[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)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467102
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2c(C)noc2C)c2c1CCC1(COC(N)=N1)C2
InChIInChI=1S/C18H21N3O3/c1-10-16(11(2)24-21-10)13-4-5-15(22-3)12-6-7-18(8-14(12)13)9-23-17(19)20-18/h4-5H,6-9H2,1-3H3,(H2,19,20)
InChIKeySIPWQYVCHJDMSZ-UHFFFAOYSA-N
XLogP2.54
TPSA82.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[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)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58467102) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[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)-8-methoxyspiro[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)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is COc1ccc(-c2c(C)noc2C)c2c1CCC1(COC(N)=N1)C2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is SIPWQYVCHJDMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-10-16(11(2)24-21-10)13-4-5-15(22-3)12-6-7-18(8-14(12)13)9-23-17(19)20-18/h4-5H,6-9H2,1-3H3,(H2,19,20).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 327.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).