3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone

C142H136N18O11 — CID 167672160

IUPAC3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3cnc(-c4ccc(OC(C)C)cc4)cn23)cc1.CC(C)Oc1ccc(-c2ccc3noc(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc5[nH]ccc5c4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc5[nH]ccc5c4)n3c2)cc1
InChIInChI=1S/C25H25NO3.2C24H25N3O2.2C23H20N4O.C23H21N3O2/c1-16(2)27-21-10-5-18(6-11-21)20-9-14-24-23(15-20)25(29-26-24)19-7-12-22(13-8-19)28-17(3)4;1-16(2)28-21-9-5-18(6-10-21)20-13-25-24-26-14-23(27(24)15-20)19-7-11-22(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-15-27-23(13-26-24(27)14-25-22)19-7-11-21(12-8-19)29-17(3)4;1-15(2)28-20-6-3-16(4-7-20)19-12-25-23-26-13-22(27(23)14-19)18-5-8-21-17(11-18)9-10-24-21;1-15(2)28-19-6-3-16(4-7-19)21-14-27-22(12-26-23(27)13-25-21)18-5-8-20-17(11-18)9-10-24-20;1-15(2)28-20-10-8-18(9-11-20)21-14-26-22(12-25-23(26)13-24-21)19-6-4-17(5-7-19)16(3)27/h3*5-17H,1-4H3;2*3-15,24H,1-2H3;4-15H,1-3H3
InChIKeyUGWVNIMPTNYLIX-UHFFFAOYSA-N
MW2270.76 g/mol
LogP33.73
Rot. Bonds31

About 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone

3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone (PubChem CID 167672160) has the molecular formula C142H136N18O11 and a molecular weight of 2270.76 g/mol. Its IUPAC name is 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
PubChem CID167672160
Molecular FormulaC142H136N18O11
Molecular Weight2270.76 g/mol
Exact Mass2269.06
IUPAC Name3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3cnc(-c4ccc(OC(C)C)cc4)cn23)cc1.CC(C)Oc1ccc(-c2ccc3noc(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc5[nH]ccc5c4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc5[nH]ccc5c4)n3c2)cc1
InChIInChI=1S/C25H25NO3.2C24H25N3O2.2C23H20N4O.C23H21N3O2/c1-16(2)27-21-10-5-18(6-11-21)20-9-14-24-23(15-20)25(29-26-24)19-7-12-22(13-8-19)28-17(3)4;1-16(2)28-21-9-5-18(6-10-21)20-13-25-24-26-14-23(27(24)15-20)19-7-11-22(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-15-27-23(13-26-24(27)14-25-22)19-7-11-21(12-8-19)29-17(3)4;1-15(2)28-20-6-3-16(4-7-20)19-12-25-23-26-13-22(27(23)14-19)18-5-8-21-17(11-18)9-10-24-21;1-15(2)28-19-6-3-16(4-7-19)21-14-27-22(12-26-23(27)13-25-21)18-5-8-20-17(11-18)9-10-24-20;1-15(2)28-20-10-8-18(9-11-20)21-14-26-22(12-25-23(26)13-24-21)19-6-4-17(5-7-19)16(3)27/h3*5-17H,1-4H3;2*3-15,24H,1-2H3;4-15H,1-3H3
InChIKeyUGWVNIMPTNYLIX-UHFFFAOYSA-N
XLogP33.73
TPSA308.70 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.76
LogP ≤ 533.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The IUPAC name of 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone (CID 167672160) is 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The canonical SMILES for 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone is CC(=O)c1ccc(-c2cnc3cnc(-c4ccc(OC(C)C)cc4)cn23)cc1.CC(C)Oc1ccc(-c2ccc3noc(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc5[nH]ccc5c4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc5[nH]ccc5c4)n3c2)cc1.
What is the InChIKey of 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The InChIKey is UGWVNIMPTNYLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3.2C24H25N3O2.2C23H20N4O.C23H21N3O2/c1-16(2)27-21-10-5-18(6-11-21)20-9-14-24-23(15-20)25(29-26-24)19-7-12-22(13-8-19)28-17(3)4;1-16(2)28-21-9-5-18(6-10-21)20-13-25-24-26-14-23(27(24)15-20)19-7-11-22(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-15-27-23(13-26-24(27)14-25-22)19-7-11-21(12-8-19)29-17(3)4;1-15(2)28-20-6-3-16(4-7-20)19-12-25-23-26-13-22(27(23)14-19)18-5-8-21-17(11-18)9-10-24-21;1-15(2)28-19-6-3-16(4-7-19)21-14-27-22(12-26-23(27)13-25-21)18-5-8-20-17(11-18)9-10-24-20;1-15(2)28-20-10-8-18(9-11-20)21-14-26-22(12-25-23(26)13-24-21)19-6-4-17(5-7-19)16(3)27/h3*5-17H,1-4H3;2*3-15,24H,1-2H3;4-15H,1-3H3.
What are the key properties of 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone has a molecular weight of 2270.76 g/mol, XLogP of 33.73, 31 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167672160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).