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

C16H18N4O — CID 58467280

IUPAC8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCn1nccc1-c1cccc2c1CCC1(COC(N)=N1)C2
InChIInChI=1S/C16H18N4O/c1-20-14(6-8-18-20)13-4-2-3-11-9-16(7-5-12(11)13)10-21-15(17)19-16/h2-4,6,8H,5,7,9-10H2,1H3,(H2,17,19)
InChIKeyFJDNGQNLRMKKMC-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.66
Rot. Bonds1

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

8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467280) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467280
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCn1nccc1-c1cccc2c1CCC1(COC(N)=N1)C2
InChIInChI=1S/C16H18N4O/c1-20-14(6-8-18-20)13-4-2-3-11-9-16(7-5-12(11)13)10-21-15(17)19-16/h2-4,6,8H,5,7,9-10H2,1H3,(H2,17,19)
InChIKeyFJDNGQNLRMKKMC-UHFFFAOYSA-N
XLogP1.66
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine 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-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58467280) is 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is Cn1nccc1-c1cccc2c1CCC1(COC(N)=N1)C2.
What is the InChIKey of 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is FJDNGQNLRMKKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-14(6-8-18-20)13-4-2-3-11-9-16(7-5-12(11)13)10-21-15(17)19-16/h2-4,6,8H,5,7,9-10H2,1H3,(H2,17,19).
What are the key properties of 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 282.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).