7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C16H18N4O — CID 58466613

IUPAC7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCn1cc(-c2ccc3c(c2)CCC2(COC(N)=N2)C3)cn1
InChIInChI=1S/C16H18N4O/c1-20-9-14(8-18-20)11-2-3-13-7-16(5-4-12(13)6-11)10-21-15(17)19-16/h2-3,6,8-9H,4-5,7,10H2,1H3,(H2,17,19)
InChIKeyQDKMHFKIZSSIKD-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.66
Rot. Bonds1

About 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466613) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466613
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCn1cc(-c2ccc3c(c2)CCC2(COC(N)=N2)C3)cn1
InChIInChI=1S/C16H18N4O/c1-20-9-14(8-18-20)11-2-3-13-7-16(5-4-12(13)6-11)10-21-15(17)19-16/h2-3,6,8-9H,4-5,7,10H2,1H3,(H2,17,19)
InChIKeyQDKMHFKIZSSIKD-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 7-(1-methylpyrazol-4-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 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58466613) is 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is Cn1cc(-c2ccc3c(c2)CCC2(COC(N)=N2)C3)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is QDKMHFKIZSSIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-9-14(8-18-20)11-2-3-13-7-16(5-4-12(13)6-11)10-21-15(17)19-16/h2-3,6,8-9H,4-5,7,10H2,1H3,(H2,17,19).
What are the key properties of 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
7-(1-methylpyrazol-4-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 7-(1-methylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).