3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate

C86H70Br7N11O8 — CID 161085522

IUPAC3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate
SMILESBrCc1noc(-c2ccccc2)c1-c1ccnc(Br)c1.Brc1cc(-c2c(CN3CCCCC3)noc2-c2ccccc2)ccn1.CCOC(=O)c1noc(-c2ccccc2)c1-c1ccnc(Br)c1.Cc1ccnc(Br)c1.O=C(Cc1ccnc(Br)c1)c1ccccc1.OCc1noc(-c2ccccc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C20H20BrN3O.C17H13BrN2O3.C15H10Br2N2O.C15H11BrN2O2.C13H10BrNO.C6H6BrN/c21-18-13-16(9-10-22-18)19-17(14-24-11-5-2-6-12-24)23-25-20(19)15-7-3-1-4-8-15;1-2-22-17(21)15-14(12-8-9-19-13(18)10-12)16(23-20-15)11-6-4-3-5-7-11;16-9-12-14(11-6-7-18-13(17)8-11)15(20-19-12)10-4-2-1-3-5-10;16-13-8-11(6-7-17-13)14-12(9-19)18-20-15(14)10-4-2-1-3-5-10;14-13-9-10(6-7-15-13)8-12(16)11-4-2-1-3-5-11;1-5-2-3-8-6(7)4-5/h1,3-4,7-10,13H,2,5-6,11-12,14H2;3-10H,2H2,1H3;1-8H,9H2;1-8,19H,9H2;1-7,9H,8H2;2-4H,1H3
InChIKeyUGLNIBAFBDUBOK-UHFFFAOYSA-N
MW1944.90 g/mol
LogP23.64
Rot. Bonds17

About 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate

3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate (PubChem CID 161085522) has the molecular formula C86H70Br7N11O8 and a molecular weight of 1944.90 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate
PubChem CID161085522
Molecular FormulaC86H70Br7N11O8
Molecular Weight1944.90 g/mol
Exact Mass1936.97
IUPAC Name3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate
SMILESBrCc1noc(-c2ccccc2)c1-c1ccnc(Br)c1.Brc1cc(-c2c(CN3CCCCC3)noc2-c2ccccc2)ccn1.CCOC(=O)c1noc(-c2ccccc2)c1-c1ccnc(Br)c1.Cc1ccnc(Br)c1.O=C(Cc1ccnc(Br)c1)c1ccccc1.OCc1noc(-c2ccccc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C20H20BrN3O.C17H13BrN2O3.C15H10Br2N2O.C15H11BrN2O2.C13H10BrNO.C6H6BrN/c21-18-13-16(9-10-22-18)19-17(14-24-11-5-2-6-12-24)23-25-20(19)15-7-3-1-4-8-15;1-2-22-17(21)15-14(12-8-9-19-13(18)10-12)16(23-20-15)11-6-4-3-5-7-11;16-9-12-14(11-6-7-18-13(17)8-11)15(20-19-12)10-4-2-1-3-5-10;16-13-8-11(6-7-17-13)14-12(9-19)18-20-15(14)10-4-2-1-3-5-10;14-13-9-10(6-7-15-13)8-12(16)11-4-2-1-3-5-11;1-5-2-3-8-6(7)4-5/h1,3-4,7-10,13H,2,5-6,11-12,14H2;3-10H,2H2,1H3;1-8H,9H2;1-8,19H,9H2;1-7,9H,8H2;2-4H,1H3
InChIKeyUGLNIBAFBDUBOK-UHFFFAOYSA-N
XLogP23.64
TPSA248.30 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.90
LogP ≤ 523.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate 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

Lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-pyridin-3-yl-1,2-oxazole-3-carboxylate;4-phenylpiperidine;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;pyridin-3-ylboronic acid;5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid;2,2,2-trifluoroacetic acid;hydroxide;hydrate
CID 161333179
Lithium;ethyl 5-bromo-1,2-oxazole-3-carboxylate;ethyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate;4-phenylpiperidine;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone;pyridin-4-ylboronic acid;5-pyridin-4-yl-1,2-oxazole-3-carboxylic acid;2,2,2-trifluoroacetic acid;hydroxide;hydrate
CID 162028318
[5-Methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid
CID 159011877
3-(Bromomethyl)-5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazole;[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methanol;4-[[5-[4-[3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine
CID 159136000
3-(Bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate;methane
CID 160032434
2-[Bromo(phenyl)methyl]pyridine;4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;2-[methoxy(phenyl)methyl]pyridine;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzoate;phenyl(pyridin-2-yl)methanol;phenyl(pyridin-2-yl)methanone
CID 161157511

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate?
The IUPAC name of 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate (CID 161085522) is 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate is BrCc1noc(-c2ccccc2)c1-c1ccnc(Br)c1.Brc1cc(-c2c(CN3CCCCC3)noc2-c2ccccc2)ccn1.CCOC(=O)c1noc(-c2ccccc2)c1-c1ccnc(Br)c1.Cc1ccnc(Br)c1.O=C(Cc1ccnc(Br)c1)c1ccccc1.OCc1noc(-c2ccccc2)c1-c1ccnc(Br)c1.
What is the InChIKey of 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate?
The InChIKey is UGLNIBAFBDUBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O.C17H13BrN2O3.C15H10Br2N2O.C15H11BrN2O2.C13H10BrNO.C6H6BrN/c21-18-13-16(9-10-22-18)19-17(14-24-11-5-2-6-12-24)23-25-20(19)15-7-3-1-4-8-15;1-2-22-17(21)15-14(12-8-9-19-13(18)10-12)16(23-20-15)11-6-4-3-5-7-11;16-9-12-14(11-6-7-18-13(17)8-11)15(20-19-12)10-4-2-1-3-5-10;16-13-8-11(6-7-17-13)14-12(9-19)18-20-15(14)10-4-2-1-3-5-10;14-13-9-10(6-7-15-13)8-12(16)11-4-2-1-3-5-11;1-5-2-3-8-6(7)4-5/h1,3-4,7-10,13H,2,5-6,11-12,14H2;3-10H,2H2,1H3;1-8H,9H2;1-8,19H,9H2;1-7,9H,8H2;2-4H,1H3.
What are the key properties of 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate?
3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate has a molecular weight of 1944.90 g/mol, XLogP of 23.64, 17 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole;2-bromo-4-methylpyridine;2-(2-bromo-4-pyridinyl)-1-phenylethanone;[4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazol-3-yl]methanol;4-(2-bromo-4-pyridinyl)-5-phenyl-3-(piperidin-1-ylmethyl)-1,2-oxazole;ethyl 4-(2-bromo-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 161085522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).