6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine

C19H20FN3O — CID 66683200

IUPAC6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cccnc3F)cc2C2(COC(N)=N2)C1
InChIInChI=1S/C19H20FN3O/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23)
InChIKeyCWDVWPCLVARJIH-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.40
Rot. Bonds1

About 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine

6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 66683200) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
PubChem CID66683200
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cccnc3F)cc2C2(COC(N)=N2)C1
InChIInChI=1S/C19H20FN3O/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23)
InChIKeyCWDVWPCLVARJIH-UHFFFAOYSA-N
XLogP3.40
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-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

Related Compounds

2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 53494150
6-(5-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 66683197
6-(5-chloro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 66683198
(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 66683659
CID 137641085
CID 137641085
3-(6-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine
CID 25180304
CID 137653017
CID 137653017
CID 121276161
CID 121276161
8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
CID 51352141
(3R)-8-(5-fluoro-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
CID 51352179
4-(4-fluorophenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-amine
CID 57825014
4-(4-fluorophenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 57825017

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine (CID 66683200) is 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine is CC1(C)Cc2ccc(-c3cccnc3F)cc2C2(COC(N)=N2)C1.
What is the InChIKey of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is CWDVWPCLVARJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-18(2)9-13-6-5-12(14-4-3-7-22-16(14)20)8-15(13)19(10-18)11-24-17(21)23-19/h3-8H,9-11H2,1-2H3,(H2,21,23).
What are the key properties of 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 325.39 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-pyridinyl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 66683200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).