6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C20H19ClN2O3 — CID 141127299

IUPAC6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc(-c2cc3n(n2)CC(COc2ccc(Cl)cc2)OC3)cc1
InChIInChI=1S/C20H19ClN2O3/c1-24-17-6-2-14(3-7-17)20-10-16-12-25-19(11-23(16)22-20)13-26-18-8-4-15(21)5-9-18/h2-10,19H,11-13H2,1H3
InChIKeyVJBRZWNFUHIKPB-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.19
Rot. Bonds5

About 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 141127299) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID141127299
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc(-c2cc3n(n2)CC(COc2ccc(Cl)cc2)OC3)cc1
InChIInChI=1S/C20H19ClN2O3/c1-24-17-6-2-14(3-7-17)20-10-16-12-25-19(11-23(16)22-20)13-26-18-8-4-15(21)5-9-18/h2-10,19H,11-13H2,1H3
InChIKeyVJBRZWNFUHIKPB-UHFFFAOYSA-N
XLogP4.19
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine 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-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 141127299) is 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is COc1ccc(-c2cc3n(n2)CC(COc2ccc(Cl)cc2)OC3)cc1.
What is the InChIKey of 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is VJBRZWNFUHIKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-24-17-6-2-14(3-7-17)20-10-16-12-25-19(11-23(16)22-20)13-26-18-8-4-15(21)5-9-18/h2-10,19H,11-13H2,1H3.
What are the key properties of 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 370.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenoxy)methyl]-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 141127299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).