5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid

C103H90N12O13 — CID 159453491

IUPAC5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid
SMILESC=C(O)CCCn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21.C=C(O)Cn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21.CC(=O)CCCn1ncc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc21.Cc1oc(-c2ccccc2)nc1COc1ccc2cnn(CCC(=O)O)c2c1
InChIInChI=1S/2C28H25N3O3.C26H21N3O3.C21H19N3O4/c1-20(32)10-9-17-31-25-15-8-16-26(23(25)18-29-31)33-19-24-27(21-11-4-2-5-12-21)34-28(30-24)22-13-6-3-7-14-22;1-20(32)9-8-16-31-26-17-24(15-14-23(26)18-29-31)33-19-25-27(21-10-4-2-5-11-21)34-28(30-25)22-12-6-3-7-13-22;1-18(30)16-29-23-13-8-14-24(21(23)15-27-29)31-17-22-25(19-9-4-2-5-10-19)32-26(28-22)20-11-6-3-7-12-20;1-14-18(23-21(28-14)15-5-3-2-4-6-15)13-27-17-8-7-16-12-22-24(19(16)11-17)10-9-20(25)26/h2-8,11-16,18,32H,1,9-10,17,19H2;2-7,10-15,17-18H,8-9,16,19H2,1H3;2-15,30H,1,16-17H2;2-8,11-12H,9-10,13H2,1H3,(H,25,26)
InChIKeyLTRDMSFJXYVHME-UHFFFAOYSA-N
MW1703.92 g/mol
LogP23.16
Rot. Bonds32

About 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid

5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid (PubChem CID 159453491) has the molecular formula C103H90N12O13 and a molecular weight of 1703.92 g/mol. Its IUPAC name is 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid
PubChem CID159453491
Molecular FormulaC103H90N12O13
Molecular Weight1703.92 g/mol
Exact Mass1702.68
IUPAC Name5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid
SMILESC=C(O)CCCn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21.C=C(O)Cn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21.CC(=O)CCCn1ncc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc21.Cc1oc(-c2ccccc2)nc1COc1ccc2cnn(CCC(=O)O)c2c1
InChIInChI=1S/2C28H25N3O3.C26H21N3O3.C21H19N3O4/c1-20(32)10-9-17-31-25-15-8-16-26(23(25)18-29-31)33-19-24-27(21-11-4-2-5-12-21)34-28(30-24)22-13-6-3-7-14-22;1-20(32)9-8-16-31-26-17-24(15-14-23(26)18-29-31)33-19-25-27(21-10-4-2-5-11-21)34-28(30-25)22-12-6-3-7-13-22;1-18(30)16-29-23-13-8-14-24(21(23)15-27-29)31-17-22-25(19-9-4-2-5-10-19)32-26(28-22)20-11-6-3-7-12-20;1-14-18(23-21(28-14)15-5-3-2-4-6-15)13-27-17-8-7-16-12-22-24(19(16)11-17)10-9-20(25)26/h2-8,11-16,18,32H,1,9-10,17,19H2;2-7,10-15,17-18H,8-9,16,19H2,1H3;2-15,30H,1,16-17H2;2-8,11-12H,9-10,13H2,1H3,(H,25,26)
InChIKeyLTRDMSFJXYVHME-UHFFFAOYSA-N
XLogP23.16
TPSA307.15 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001703.92
LogP ≤ 523.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid (CID 159453491) is 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid is C=C(O)CCCn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21.C=C(O)Cn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21.CC(=O)CCCn1ncc2ccc(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cc21.Cc1oc(-c2ccccc2)nc1COc1ccc2cnn(CCC(=O)O)c2c1.
What is the InChIKey of 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid?
The InChIKey is LTRDMSFJXYVHME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H25N3O3.C26H21N3O3.C21H19N3O4/c1-20(32)10-9-17-31-25-15-8-16-26(23(25)18-29-31)33-19-24-27(21-11-4-2-5-12-21)34-28(30-24)22-13-6-3-7-14-22;1-20(32)9-8-16-31-26-17-24(15-14-23(26)18-29-31)33-19-25-27(21-10-4-2-5-11-21)34-28(30-25)22-12-6-3-7-13-22;1-18(30)16-29-23-13-8-14-24(21(23)15-27-29)31-17-22-25(19-9-4-2-5-10-19)32-26(28-22)20-11-6-3-7-12-20;1-14-18(23-21(28-14)15-5-3-2-4-6-15)13-27-17-8-7-16-12-22-24(19(16)11-17)10-9-20(25)26/h2-8,11-16,18,32H,1,9-10,17,19H2;2-7,10-15,17-18H,8-9,16,19H2,1H3;2-15,30H,1,16-17H2;2-8,11-12H,9-10,13H2,1H3,(H,25,26).
What are the key properties of 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid?
5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid has a molecular weight of 1703.92 g/mol, XLogP of 23.16, 32 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one;5-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]prop-1-en-2-ol;3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 159453491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).