6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C23H24ClN3O4 — CID 91889742

IUPAC6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)c1
InChIInChI=1S/C23H24ClN3O4/c1-3-29-18-9-10-21(30-4-2)19(12-18)25-23(28)20-11-17-14-31-22(13-27(17)26-20)15-5-7-16(24)8-6-15/h5-12,22H,3-4,13-14H2,1-2H3,(H,25,28)
InChIKeyPSVCQPUTVNMRBI-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.86
Rot. Bonds7

About 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889742) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889742
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)c1
InChIInChI=1S/C23H24ClN3O4/c1-3-29-18-9-10-21(30-4-2)19(12-18)25-23(28)20-11-17-14-31-22(13-27(17)26-20)15-5-7-16(24)8-6-15/h5-12,22H,3-4,13-14H2,1-2H3,(H,25,28)
InChIKeyPSVCQPUTVNMRBI-UHFFFAOYSA-N
XLogP4.86
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-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 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889742) is 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)c1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is PSVCQPUTVNMRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-3-29-18-9-10-21(30-4-2)19(12-18)25-23(28)20-11-17-14-31-22(13-27(17)26-20)15-5-7-16(24)8-6-15/h5-12,22H,3-4,13-14H2,1-2H3,(H,25,28).
What are the key properties of 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).