2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide

C25H24N4O5 — CID 5307247

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCCOc1ccc(-c2cc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)on2)cc1OCC
InChIInChI=1S/C25H24N4O5/c1-3-31-21-10-9-16(11-22(21)32-4-2)19-12-24(34-28-19)27-23(30)14-29-25-17(13-26-29)15-33-20-8-6-5-7-18(20)25/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
InChIKeyZVYSKRYDUPNWBL-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.53
Rot. Bonds8

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 5307247) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID5307247
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCCOc1ccc(-c2cc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)on2)cc1OCC
InChIInChI=1S/C25H24N4O5/c1-3-31-21-10-9-16(11-22(21)32-4-2)19-12-24(34-28-19)27-23(30)14-29-25-17(13-26-29)15-33-20-8-6-5-7-18(20)25/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
InChIKeyZVYSKRYDUPNWBL-UHFFFAOYSA-N
XLogP4.53
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide 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 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide (CID 5307247) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide is CCOc1ccc(-c2cc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)on2)cc1OCC.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is ZVYSKRYDUPNWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-3-31-21-10-9-16(11-22(21)32-4-2)19-12-24(34-28-19)27-23(30)14-29-25-17(13-26-29)15-33-20-8-6-5-7-18(20)25/h5-13H,3-4,14-15H2,1-2H3,(H,27,30).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 460.49 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 5307247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).