N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C21H25N5O3 — CID 24793838

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)Cc2nonc2C)cc1
InChIInChI=1S/C21H25N5O3/c1-13-17(25-29-24-13)9-20(27)23-18-10-21(2,3)11-19-16(18)12-22-26(19)14-5-7-15(28-4)8-6-14/h5-8,12,18H,9-11H2,1-4H3,(H,23,27)
InChIKeyZVNBDZKLVZEEBQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 24793838) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID24793838
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)Cc2nonc2C)cc1
InChIInChI=1S/C21H25N5O3/c1-13-17(25-29-24-13)9-20(27)23-18-10-21(2,3)11-19-16(18)12-22-26(19)14-5-7-15(28-4)8-6-14/h5-8,12,18H,9-11H2,1-4H3,(H,23,27)
InChIKeyZVNBDZKLVZEEBQ-UHFFFAOYSA-N
XLogP2.94
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methyl-3-furamide
CID 24790593
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 24791125
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24791319
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 24791549
1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-piperidinecarboxamide
CID 24816617
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 24817323
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methyl-2-pyrazinecarboxamide
CID 24819487
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-butenamide
CID 23723387
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)propanamide
CID 24791550
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopiperidin-1-yl)propanamide
CID 24793031
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 24816648

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 24793838) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)Cc2nonc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is ZVNBDZKLVZEEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13-17(25-29-24-13)9-20(27)23-18-10-21(2,3)11-19-16(18)12-22-26(19)14-5-7-15(28-4)8-6-14/h5-8,12,18H,9-11H2,1-4H3,(H,23,27).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 24793838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).