4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane

C29H48FN3O — CID 158685358

IUPAC4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane
SMILESC.C.CC(C)(C)c1ccnc(F)c1.Cc1ccc(C(C)(C)C)cn1.Cc1coc(C(C)(C)C)n1
InChIInChI=1S/C10H15N.C9H12FN.C8H13NO.2CH4/c1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-6-5-10-7(9-6)8(2,3)4;;/h5-7H,1-4H3;4-6H,1-3H3;5H,1-4H3;2*1H4
InChIKeyIFQYFUQTFLFHMN-UHFFFAOYSA-N
MW473.72 g/mol
LogP8.76
Rot. Bonds

About 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane

4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane (PubChem CID 158685358) has the molecular formula C29H48FN3O and a molecular weight of 473.72 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane.

Molecular Properties

Compound Name4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane
PubChem CID158685358
Molecular FormulaC29H48FN3O
Molecular Weight473.72 g/mol
Exact Mass473.38
IUPAC Name4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane
SMILESC.C.CC(C)(C)c1ccnc(F)c1.Cc1ccc(C(C)(C)C)cn1.Cc1coc(C(C)(C)C)n1
InChIInChI=1S/C10H15N.C9H12FN.C8H13NO.2CH4/c1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-6-5-10-7(9-6)8(2,3)4;;/h5-7H,1-4H3;4-6H,1-3H3;5H,1-4H3;2*1H4
InChIKeyIFQYFUQTFLFHMN-UHFFFAOYSA-N
XLogP8.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.72
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

3-[(2-Methyl-4-oxazolyl)ethynyl]pyridine
CID 44407000
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 72111579
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 71694302
2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]methyl]acetamide
CID 122696105
N-[amino(pyridin-2-yl)methylidene]-N'-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboximidamide
CID 144379466
2-(4,4-Difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole
CID 170752670
2-(3,3-Difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
CID 170752750
2-(4,4-Difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
CID 170752779
2-(4,4-Difluorohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole
CID 170752784
1-(2,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75371687
1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 75375178
(1S)-1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 95900092

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane?
The IUPAC name of 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane (CID 158685358) is 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane.
What is the SMILES notation for 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane?
The canonical SMILES for 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane is C.C.CC(C)(C)c1ccnc(F)c1.Cc1ccc(C(C)(C)C)cn1.Cc1coc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane?
The InChIKey is IFQYFUQTFLFHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12FN.C8H13NO.2CH4/c1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-6-5-10-7(9-6)8(2,3)4;;/h5-7H,1-4H3;4-6H,1-3H3;5H,1-4H3;2*1H4.
What are the key properties of 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane?
4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane has a molecular weight of 473.72 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoropyridine;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methylpyridine;methane is sourced from PubChem (CID 158685358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).