3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole

C17H16Cl2N2O3 — CID 44815059

IUPAC3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole
SMILESCc1nn2c(-c3ccc(Cl)cc3Cl)c(C)oc2c1OC1CCOC1
InChIInChI=1S/C17H16Cl2N2O3/c1-9-16(24-12-5-6-22-8-12)17-21(20-9)15(10(2)23-17)13-4-3-11(18)7-14(13)19/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyHVBIPTZIQWLBFI-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.69
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole

3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole (PubChem CID 44815059) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole
PubChem CID44815059
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole
SMILESCc1nn2c(-c3ccc(Cl)cc3Cl)c(C)oc2c1OC1CCOC1
InChIInChI=1S/C17H16Cl2N2O3/c1-9-16(24-12-5-6-22-8-12)17-21(20-9)15(10(2)23-17)13-4-3-11(18)7-14(13)19/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyHVBIPTZIQWLBFI-UHFFFAOYSA-N
XLogP4.69
TPSA48.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole (CID 44815059) is 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole is Cc1nn2c(-c3ccc(Cl)cc3Cl)c(C)oc2c1OC1CCOC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole?
The InChIKey is HVBIPTZIQWLBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-9-16(24-12-5-6-22-8-12)17-21(20-9)15(10(2)23-17)13-4-3-11(18)7-14(13)19/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole?
3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole has a molecular weight of 367.23 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 44815059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).