[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C26H24N4O5S — CID 52950307

IUPAC[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1noc(C)c1-c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1
InChIInChI=1S/C26H24N4O5S/c1-16-23(17(2)35-28-16)18-6-5-7-19(14-18)30-25-20-8-3-4-9-22(20)36(32,33)15-21(25)24(27-30)26(31)29-10-12-34-13-11-29/h3-9,14H,10-13,15H2,1-2H3
InChIKeyMWFGYPVIIVOLMX-UHFFFAOYSA-N
MW504.57 g/mol
LogP3.57
Rot. Bonds3

About [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 52950307) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID52950307
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC Name[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1noc(C)c1-c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1
InChIInChI=1S/C26H24N4O5S/c1-16-23(17(2)35-28-16)18-6-5-7-19(14-18)30-25-20-8-3-4-9-22(20)36(32,33)15-21(25)24(27-30)26(31)29-10-12-34-13-11-29/h3-9,14H,10-13,15H2,1-2H3
InChIKeyMWFGYPVIIVOLMX-UHFFFAOYSA-N
XLogP3.57
TPSA107.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone 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 [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 52950307) is [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is Cc1noc(C)c1-c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1.
What is the InChIKey of [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is MWFGYPVIIVOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c1-16-23(17(2)35-28-16)18-6-5-7-19(14-18)30-25-20-8-3-4-9-22(20)36(32,33)15-21(25)24(27-30)26(31)29-10-12-34-13-11-29/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 504.57 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 52950307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).