bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid

C119H107N15O17 — CID 160542570

IUPACbis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid
SMILESC=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc2n1.C=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc2n1.C=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2n1.Cc1oc(-c2ccccc2)nc1CCCOc1cccc2nn(CC(=O)O)cc12.Cc1oc(-c2ccccc2)nc1CCCOc1cccc2nn(CCCC(=O)O)cc12
InChIInChI=1S/2C26H21N3O3.C24H25N3O4.C22H21N3O4.C21H19N3O3/c2*1-18(30)15-29-16-21-12-13-22(14-23(21)28-29)31-17-24-25(19-8-4-2-5-9-19)32-26(27-24)20-10-6-3-7-11-20;1-17-20(25-24(31-17)18-8-3-2-4-9-18)11-7-15-30-22-12-5-10-21-19(22)16-27(26-21)14-6-13-23(28)29;1-15-18(23-22(29-15)16-7-3-2-4-8-16)10-6-12-28-20-11-5-9-19-17(20)13-25(24-19)14-21(26)27;1-14(25)11-24-12-17-8-9-18(10-19(17)23-24)26-13-20-15(2)27-21(22-20)16-6-4-3-5-7-16/h2*2-14,16,30H,1,15,17H2;2-5,8-10,12,16H,6-7,11,13-15H2,1H3,(H,28,29);2-5,7-9,11,13H,6,10,12,14H2,1H3,(H,26,27);3-10,12,25H,1,11,13H2,2H3
InChIKeyQWZFKFQDBHYBJR-UHFFFAOYSA-N
MW2019.25 g/mol
LogP25.64
Rot. Bonds38

About bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid

bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid (PubChem CID 160542570) has the molecular formula C119H107N15O17 and a molecular weight of 2019.25 g/mol. Its IUPAC name is bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid.

Molecular Properties

Compound Namebis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid
PubChem CID160542570
Molecular FormulaC119H107N15O17
Molecular Weight2019.25 g/mol
Exact Mass2017.80
IUPAC Namebis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid
SMILESC=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc2n1.C=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc2n1.C=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2n1.Cc1oc(-c2ccccc2)nc1CCCOc1cccc2nn(CC(=O)O)cc12.Cc1oc(-c2ccccc2)nc1CCCOc1cccc2nn(CCCC(=O)O)cc12
InChIInChI=1S/2C26H21N3O3.C24H25N3O4.C22H21N3O4.C21H19N3O3/c2*1-18(30)15-29-16-21-12-13-22(14-23(21)28-29)31-17-24-25(19-8-4-2-5-9-19)32-26(27-24)20-10-6-3-7-11-20;1-17-20(25-24(31-17)18-8-3-2-4-9-18)11-7-15-30-22-12-5-10-21-19(22)16-27(26-21)14-6-13-23(28)29;1-15-18(23-22(29-15)16-7-3-2-4-8-16)10-6-12-28-20-11-5-9-19-17(20)13-25(24-19)14-21(26)27;1-14(25)11-24-12-17-8-9-18(10-19(17)23-24)26-13-20-15(2)27-21(22-20)16-6-4-3-5-7-16/h2*2-14,16,30H,1,15,17H2;2-5,8-10,12,16H,6-7,11,13-15H2,1H3,(H,28,29);2-5,7-9,11,13H,6,10,12,14H2,1H3,(H,26,27);3-10,12,25H,1,11,13H2,2H3
InChIKeyQWZFKFQDBHYBJR-UHFFFAOYSA-N
XLogP25.64
TPSA400.69 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.25
LogP ≤ 525.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid?
The IUPAC name of bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid (CID 160542570) is bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid.
What is the SMILES notation for bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid?
The canonical SMILES for bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid is C=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc2n1.C=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc2n1.C=C(O)Cn1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2n1.Cc1oc(-c2ccccc2)nc1CCCOc1cccc2nn(CC(=O)O)cc12.Cc1oc(-c2ccccc2)nc1CCCOc1cccc2nn(CCCC(=O)O)cc12.
What is the InChIKey of bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid?
The InChIKey is QWZFKFQDBHYBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21N3O3.C24H25N3O4.C22H21N3O4.C21H19N3O3/c2*1-18(30)15-29-16-21-12-13-22(14-23(21)28-29)31-17-24-25(19-8-4-2-5-9-19)32-26(27-24)20-10-6-3-7-11-20;1-17-20(25-24(31-17)18-8-3-2-4-9-18)11-7-15-30-22-12-5-10-21-19(22)16-27(26-21)14-6-13-23(28)29;1-15-18(23-22(29-15)16-7-3-2-4-8-16)10-6-12-28-20-11-5-9-19-17(20)13-25(24-19)14-21(26)27;1-14(25)11-24-12-17-8-9-18(10-19(17)23-24)26-13-20-15(2)27-21(22-20)16-6-4-3-5-7-16/h2*2-14,16,30H,1,15,17H2;2-5,8-10,12,16H,6-7,11,13-15H2,1H3,(H,28,29);2-5,7-9,11,13H,6,10,12,14H2,1H3,(H,26,27);3-10,12,25H,1,11,13H2,2H3.
What are the key properties of bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid?
bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid has a molecular weight of 2019.25 g/mol, XLogP of 25.64, 38 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol);3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-2-yl]prop-1-en-2-ol;2-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]acetic acid;4-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]indazol-2-yl]butanoic acid is sourced from PubChem (CID 160542570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).