ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

C67H75BBrF2N9O15 — CID 161425198

About ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (PubChem CID 161425198) has the molecular formula C67H75BBrF2N9O15 and a molecular weight of 1375.10 g/mol. Its IUPAC name is ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
• PubChem CID: 161425198
• Molecular Formula: C67H75BBrF2N9O15
• Molecular Weight: 1375.10 g/mol
• Exact Mass: 1373.46
• IUPAC Name: ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
• SMILES: C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cc(C(=O)Cc2cnn(Cc3cccc(F)c3)c2)no1.C=C(C)c1cc(C(=O)O)no1.C=C(C)c1cc(C(=O)OCC)no1.CC(C)c1cc(C(=O)Cc2cnn(Cc3cccc(F)c3)c2)no1.CCOC(=O)c1cc(Br)on1
• InChI: InChI=1S/C18H18FN3O2.C18H16FN3O2.C9H17BO2.C9H11NO3.C7H7NO3.C6H6BrNO3/c2*1-12(2)18-8-16(21-24-18)17(23)7-14-9-20-22(11-14)10-13-4-3-5-15(19)6-13;1-7(2)10-11-8(3,4)9(5,6)12-10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-4(2)6-3-5(7(9)10)8-11-6;1-2-10-6(9)4-3-5(7)11-8-4/h3-6,8-9,11-12H,7,10H2,1-2H3;3-6,8-9,11H,1,7,10H2,2H3;1H2,2-6H3;5H,2,4H2,1,3H3;3H,1H2,2H3,(H,9,10);3H,2H2,1H3
• InChIKey: VXGOATJVLRHNRT-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 308.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.10
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The IUPAC name of ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (CID 161425198) is ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

What is the SMILES notation for ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The canonical SMILES for ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cc(C(=O)Cc2cnn(Cc3cccc(F)c3)c2)no1.C=C(C)c1cc(C(=O)O)no1.C=C(C)c1cc(C(=O)OCC)no1.CC(C)c1cc(C(=O)Cc2cnn(Cc3cccc(F)c3)c2)no1.CCOC(=O)c1cc(Br)on1.

What is the InChIKey of ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The InChIKey is VXGOATJVLRHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2.C18H16FN3O2.C9H17BO2.C9H11NO3.C7H7NO3.C6H6BrNO3/c2*1-12(2)18-8-16(21-24-18)17(23)7-14-9-20-22(11-14)10-13-4-3-5-15(19)6-13;1-7(2)10-11-8(3,4)9(5,6)12-10;1-4-12-9(11)7-5-8(6(2)3)13-10-7;1-4(2)6-3-5(7(9)10)8-11-6;1-2-10-6(9)4-3-5(7)11-8-4/h3-6,8-9,11-12H,7,10H2,1-2H3;3-6,8-9,11H,1,7,10H2,2H3;1H2,2-6H3;5H,2,4H2,1,3H3;3H,1H2,2H3,(H,9,10);3H,2H2,1H3.

What are the key properties of ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane has a molecular weight of 1375.10 g/mol, XLogP of 14.22, 20 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-prop-1-en-2-yl-1,2-oxazole-3-carboxylate;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone;5-prop-1-en-2-yl-1,2-oxazole-3-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 161425198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).