4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole

C78H106BF3N10O4 — CID 160564593

About 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole

4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole (PubChem CID 160564593) has the molecular formula C78H106BF3N10O4 and a molecular weight of 1315.58 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole.

Molecular Properties

• Compound Name: 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole
• PubChem CID: 160564593
• Molecular Formula: C78H106BF3N10O4
• Molecular Weight: 1315.58 g/mol
• Exact Mass: 1314.84
• IUPAC Name: 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole
• SMILES: C.C.CB1OCc2c1cccc2C(C)C.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cnc2c(c1)CN(C)CC2.Cc1cc(OCC(C)(F)F)nc(C(C)C)n1
• InChI: InChI=1S/C12H18N2.C11H15BO.C11H16F2N2O.2C11H12N2O.C11H14N2.C9H11F.2CH4/c1-9(2)10-6-11-8-14(3)5-4-12(11)13-7-10;1-8(2)9-5-4-6-11-10(9)7-13-12(11)3;1-7(2)10-14-8(3)5-9(15-10)16-6-11(4,12)13;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-7(2)8-3-5-9(10)6-4-8;;/h6-7,9H,4-5,8H2,1-3H3;4-6,8H,7H2,1-3H3;5,7H,6H2,1-4H3;2*3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*1H4
• InChIKey: QZTGNULWFMLHMQ-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 156.03 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.58
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The IUPAC name of 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole (CID 160564593) is 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole.

What is the SMILES notation for 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The canonical SMILES for 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole is C.C.CB1OCc2c1cccc2C(C)C.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cnc2c(c1)CN(C)CC2.Cc1cc(OCC(C)(F)F)nc(C(C)C)n1.

What is the InChIKey of 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The InChIKey is QZTGNULWFMLHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C11H15BO.C11H16F2N2O.2C11H12N2O.C11H14N2.C9H11F.2CH4/c1-9(2)10-6-11-8-14(3)5-4-12(11)13-7-10;1-8(2)9-5-4-6-11-10(9)7-13-12(11)3;1-7(2)10-14-8(3)5-9(15-10)16-6-11(4,12)13;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-7(2)8-3-5-9(10)6-4-8;;/h6-7,9H,4-5,8H2,1-3H3;4-6,8H,7H2,1-3H3;5,7H,6H2,1-4H3;2*3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;2*1H4.

What are the key properties of 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole has a molecular weight of 1315.58 g/mol, XLogP of 19.94, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-4-propan-2-yl-3H-2,1-benzoxaborole;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-propan-2-ylindazole;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 160564593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).