ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one

C94H96N12O13 — CID 159568341

IUPACethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one
SMILESCC(=O)CCCn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1.CC(=O)CCCn1ncc2ccc(OCc3nc(-c4ccccc4)oc3C)cc21.CC(=O)Cn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1.CCOC(=O)CCCn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1
InChIInChI=1S/C25H27N3O4.C24H25N3O3.C23H23N3O3.C22H21N3O3/c1-3-30-24(29)13-8-15-28-17-20-22(27-28)11-7-12-23(20)31-16-14-21-18(2)32-25(26-21)19-9-5-4-6-10-19;1-17(28)8-7-14-27-16-20-22(26-27)11-6-12-23(20)29-15-13-21-18(2)30-24(25-21)19-9-4-3-5-10-19;1-16(27)7-6-12-26-22-13-20(11-10-19(22)14-24-26)28-15-21-17(2)29-23(25-21)18-8-4-3-5-9-18;1-15(26)13-25-14-18-20(24-25)9-6-10-21(18)27-12-11-19-16(2)28-22(23-19)17-7-4-3-5-8-17/h4-7,9-12,17H,3,8,13-16H2,1-2H3;3-6,9-12,16H,7-8,13-15H2,1-2H3;3-5,8-11,13-14H,6-7,12,15H2,1-2H3;3-10,14H,11-13H2,1-2H3
InChIKeyMHMJMTCISCYHER-UHFFFAOYSA-N
MW1601.87 g/mol
LogP19.11
Rot. Bonds34

About ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one

ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one (PubChem CID 159568341) has the molecular formula C94H96N12O13 and a molecular weight of 1601.87 g/mol. Its IUPAC name is ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one.

Molecular Properties

Compound Nameethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one
PubChem CID159568341
Molecular FormulaC94H96N12O13
Molecular Weight1601.87 g/mol
Exact Mass1600.72
IUPAC Nameethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one
SMILESCC(=O)CCCn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1.CC(=O)CCCn1ncc2ccc(OCc3nc(-c4ccccc4)oc3C)cc21.CC(=O)Cn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1.CCOC(=O)CCCn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1
InChIInChI=1S/C25H27N3O4.C24H25N3O3.C23H23N3O3.C22H21N3O3/c1-3-30-24(29)13-8-15-28-17-20-22(27-28)11-7-12-23(20)31-16-14-21-18(2)32-25(26-21)19-9-5-4-6-10-19;1-17(28)8-7-14-27-16-20-22(26-27)11-6-12-23(20)29-15-13-21-18(2)30-24(25-21)19-9-4-3-5-10-19;1-16(27)7-6-12-26-22-13-20(11-10-19(22)14-24-26)28-15-21-17(2)29-23(25-21)18-8-4-3-5-9-18;1-15(26)13-25-14-18-20(24-25)9-6-10-21(18)27-12-11-19-16(2)28-22(23-19)17-7-4-3-5-8-17/h4-7,9-12,17H,3,8,13-16H2,1-2H3;3-6,9-12,16H,7-8,13-15H2,1-2H3;3-5,8-11,13-14H,6-7,12,15H2,1-2H3;3-10,14H,11-13H2,1-2H3
InChIKeyMHMJMTCISCYHER-UHFFFAOYSA-N
XLogP19.11
TPSA289.83 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.87
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one?
The IUPAC name of ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one (CID 159568341) is ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one.
What is the SMILES notation for ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one?
The canonical SMILES for ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one is CC(=O)CCCn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1.CC(=O)CCCn1ncc2ccc(OCc3nc(-c4ccccc4)oc3C)cc21.CC(=O)Cn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1.CCOC(=O)CCCn1cc2c(OCCc3nc(-c4ccccc4)oc3C)cccc2n1.
What is the InChIKey of ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one?
The InChIKey is MHMJMTCISCYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4.C24H25N3O3.C23H23N3O3.C22H21N3O3/c1-3-30-24(29)13-8-15-28-17-20-22(27-28)11-7-12-23(20)31-16-14-21-18(2)32-25(26-21)19-9-5-4-6-10-19;1-17(28)8-7-14-27-16-20-22(26-27)11-6-12-23(20)29-15-13-21-18(2)30-24(25-21)19-9-4-3-5-10-19;1-16(27)7-6-12-26-22-13-20(11-10-19(22)14-24-26)28-15-21-17(2)29-23(25-21)18-8-4-3-5-9-18;1-15(26)13-25-14-18-20(24-25)9-6-10-21(18)27-12-11-19-16(2)28-22(23-19)17-7-4-3-5-8-17/h4-7,9-12,17H,3,8,13-16H2,1-2H3;3-6,9-12,16H,7-8,13-15H2,1-2H3;3-5,8-11,13-14H,6-7,12,15H2,1-2H3;3-10,14H,11-13H2,1-2H3.
What are the key properties of ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one?
ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one has a molecular weight of 1601.87 g/mol, XLogP of 19.11, 34 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoate;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]pentan-2-one;1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]propan-2-one;5-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]pentan-2-one is sourced from PubChem (CID 159568341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).