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

C20H17ClFN3O2 — CID 91889753

IUPAC6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C20H17ClFN3O2/c1-12-8-15(22)6-7-17(12)23-20(26)18-9-16-11-27-19(10-25(16)24-18)13-2-4-14(21)5-3-13/h2-9,19H,10-11H2,1H3,(H,23,26)
InChIKeyJWVSGUMAEHHUEQ-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.51
Rot. Bonds3

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

6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889753) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889753
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C20H17ClFN3O2/c1-12-8-15(22)6-7-17(12)23-20(26)18-9-16-11-27-19(10-25(16)24-18)13-2-4-14(21)5-3-13/h2-9,19H,10-11H2,1H3,(H,23,26)
InChIKeyJWVSGUMAEHHUEQ-UHFFFAOYSA-N
XLogP4.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-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-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889753) is 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2.
What is the InChIKey of 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is JWVSGUMAEHHUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-8-15(22)6-7-17(12)23-20(26)18-9-16-11-27-19(10-25(16)24-18)13-2-4-14(21)5-3-13/h2-9,19H,10-11H2,1H3,(H,23,26).
What are the key properties of 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).