2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide

C22H26N4O2 — CID 24818901

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-14-17(15(2)28-25-14)10-21(27)24-19-11-22(3,4)12-20-18(19)13-23-26(20)16-8-6-5-7-9-16/h5-9,13,19H,10-12H2,1-4H3,(H,24,27)
InChIKeyVKSDISUOMAFWNU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.85
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide (PubChem CID 24818901) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
PubChem CID24818901
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-14-17(15(2)28-25-14)10-21(27)24-19-11-22(3,4)12-20-18(19)13-23-26(20)16-8-6-5-7-9-16/h5-9,13,19H,10-12H2,1-4H3,(H,24,27)
InChIKeyVKSDISUOMAFWNU-UHFFFAOYSA-N
XLogP3.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide (CID 24818901) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide?
The InChIKey is VKSDISUOMAFWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-17(15(2)28-25-14)10-21(27)24-19-11-22(3,4)12-20-18(19)13-23-26(20)16-8-6-5-7-9-16/h5-9,13,19H,10-12H2,1-4H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide is sourced from PubChem (CID 24818901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).