8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C18H22N4O2 — CID 91298590

IUPAC8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESC=NC=C(/C=N/C)c1ccc(OC)c2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C18H22N4O2/c1-20-9-12(10-21-2)13-4-5-16(23-3)14-6-7-18(8-15(13)14)11-24-17(19)22-18/h4-5,9-10H,1,6-8,11H2,2-3H3,(H2,19,22)/b12-9?,21-10+
InChIKeyFJNLICAHXOWFHF-KQIQVANZSA-N
MW326.40 g/mol
LogP2.01
Rot. Bonds4

About 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 91298590) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID91298590
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESC=NC=C(/C=N/C)c1ccc(OC)c2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C18H22N4O2/c1-20-9-12(10-21-2)13-4-5-16(23-3)14-6-7-18(8-15(13)14)11-24-17(19)22-18/h4-5,9-10H,1,6-8,11H2,2-3H3,(H2,19,22)/b12-9?,21-10+
InChIKeyFJNLICAHXOWFHF-KQIQVANZSA-N
XLogP2.01
TPSA81.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 91298590) is 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is C=NC=C(/C=N/C)c1ccc(OC)c2c1CC1(CC2)COC(N)=N1.
What is the InChIKey of 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is FJNLICAHXOWFHF-KQIQVANZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-9-12(10-21-2)13-4-5-16(23-3)14-6-7-18(8-15(13)14)11-24-17(19)22-18/h4-5,9-10H,1,6-8,11H2,2-3H3,(H2,19,22)/b12-9?,21-10+.
What are the key properties of 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 326.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 91298590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).