3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide

C22H25Cl2N3O3 — CID 44814515

IUPAC3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide
SMILESCCCN(C(=O)c1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12)C1CCOCC1
InChIInChI=1S/C22H25Cl2N3O3/c1-4-9-26(16-7-10-29-11-8-16)21(28)19-13(2)25-27-20(14(3)30-22(19)27)17-6-5-15(23)12-18(17)24/h5-6,12,16H,4,7-11H2,1-3H3
InChIKeyVHDPTVFNWYAOHM-UHFFFAOYSA-N
MW450.37 g/mol
LogP5.55
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide

3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide (PubChem CID 44814515) has the molecular formula C22H25Cl2N3O3 and a molecular weight of 450.37 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide
PubChem CID44814515
Molecular FormulaC22H25Cl2N3O3
Molecular Weight450.37 g/mol
Exact Mass449.13
IUPAC Name3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide
SMILESCCCN(C(=O)c1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12)C1CCOCC1
InChIInChI=1S/C22H25Cl2N3O3/c1-4-9-26(16-7-10-29-11-8-16)21(28)19-13(2)25-27-20(14(3)30-22(19)27)17-6-5-15(23)12-18(17)24/h5-6,12,16H,4,7-11H2,1-3H3
InChIKeyVHDPTVFNWYAOHM-UHFFFAOYSA-N
XLogP5.55
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide (CID 44814515) is 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide is CCCN(C(=O)c1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12)C1CCOCC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide?
The InChIKey is VHDPTVFNWYAOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O3/c1-4-9-26(16-7-10-29-11-8-16)21(28)19-13(2)25-27-20(14(3)30-22(19)27)17-6-5-15(23)12-18(17)24/h5-6,12,16H,4,7-11H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide?
3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide has a molecular weight of 450.37 g/mol, XLogP of 5.55, 5 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-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide is sourced from PubChem (CID 44814515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).