6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole

C20H18Cl2N4O3 — CID 129275161

IUPAC6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(N4C=C5OCCN5C4)n[nH]c3c2)c1Cl
InChIInChI=1S/C20H18Cl2N4O3/c1-27-14-8-15(28-2)19(22)17(18(14)21)11-3-4-12-13(7-11)23-24-20(12)26-9-16-25(10-26)5-6-29-16/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,24)
InChIKeyPFYCSYDINKFMGQ-UHFFFAOYSA-N
MW433.30 g/mol
LogP4.46
Rot. Bonds4

About 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole

6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole (PubChem CID 129275161) has the molecular formula C20H18Cl2N4O3 and a molecular weight of 433.30 g/mol. Its IUPAC name is 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole
PubChem CID129275161
Molecular FormulaC20H18Cl2N4O3
Molecular Weight433.30 g/mol
Exact Mass432.08
IUPAC Name6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(N4C=C5OCCN5C4)n[nH]c3c2)c1Cl
InChIInChI=1S/C20H18Cl2N4O3/c1-27-14-8-15(28-2)19(22)17(18(14)21)11-3-4-12-13(7-11)23-24-20(12)26-9-16-25(10-26)5-6-29-16/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,24)
InChIKeyPFYCSYDINKFMGQ-UHFFFAOYSA-N
XLogP4.46
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole?
The IUPAC name of 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole (CID 129275161) is 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole.
What is the SMILES notation for 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole?
The canonical SMILES for 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole is COc1cc(OC)c(Cl)c(-c2ccc3c(N4C=C5OCCN5C4)n[nH]c3c2)c1Cl.
What is the InChIKey of 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole?
The InChIKey is PFYCSYDINKFMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3/c1-27-14-8-15(28-2)19(22)17(18(14)21)11-3-4-12-13(7-11)23-24-20(12)26-9-16-25(10-26)5-6-29-16/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,24).
What are the key properties of 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole?
6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole has a molecular weight of 433.30 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-3,5-dihydro-2H-imidazo[5,1-b][1,3]oxazole is sourced from PubChem (CID 129275161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).