6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C16H18N4O — CID 58466833

IUPAC6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCn1nccc1-c1ccc2c(c1)CC1(CC2)COC(N)=N1
InChIInChI=1S/C16H18N4O/c1-20-14(5-7-18-20)12-3-2-11-4-6-16(9-13(11)8-12)10-21-15(17)19-16/h2-3,5,7-8H,4,6,9-10H2,1H3,(H2,17,19)
InChIKeyVDILPOZHJFRPEH-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.66
Rot. Bonds1

About 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466833) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466833
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCn1nccc1-c1ccc2c(c1)CC1(CC2)COC(N)=N1
InChIInChI=1S/C16H18N4O/c1-20-14(5-7-18-20)12-3-2-11-4-6-16(9-13(11)8-12)10-21-15(17)19-16/h2-3,5,7-8H,4,6,9-10H2,1H3,(H2,17,19)
InChIKeyVDILPOZHJFRPEH-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58466833) is 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is Cn1nccc1-c1ccc2c(c1)CC1(CC2)COC(N)=N1.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is VDILPOZHJFRPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-14(5-7-18-20)12-3-2-11-4-6-16(9-13(11)8-12)10-21-15(17)19-16/h2-3,5,7-8H,4,6,9-10H2,1H3,(H2,17,19).
What are the key properties of 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
6-(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 6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).