6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

C20H16N4O — CID 134364421

IUPAC6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4nccnc4c2)OCC3)c1
InChIInChI=1S/C20H16N4O/c1-13-3-2-4-15(11-13)19-18(20-24(23-19)9-10-25-20)14-5-6-16-17(12-14)22-8-7-21-16/h2-8,11-12H,9-10H2,1H3
InChIKeyYSFLHXCDVRROTN-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.86
Rot. Bonds2

About 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (PubChem CID 134364421) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
PubChem CID134364421
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESCc1cccc(-c2nn3c(c2-c2ccc4nccnc4c2)OCC3)c1
InChIInChI=1S/C20H16N4O/c1-13-3-2-4-15(11-13)19-18(20-24(23-19)9-10-25-20)14-5-6-16-17(12-14)22-8-7-21-16/h2-8,11-12H,9-10H2,1H3
InChIKeyYSFLHXCDVRROTN-UHFFFAOYSA-N
XLogP3.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (CID 134364421) is 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is Cc1cccc(-c2nn3c(c2-c2ccc4nccnc4c2)OCC3)c1.
What is the InChIKey of 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The InChIKey is YSFLHXCDVRROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-3-2-4-15(11-13)19-18(20-24(23-19)9-10-25-20)14-5-6-16-17(12-14)22-8-7-21-16/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole has a molecular weight of 328.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-7-quinoxalin-6-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 134364421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).