N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C21H26N4O3 — CID 42195775

IUPACN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CN2CCOC2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-14-4-6-15(7-5-14)25-18-11-21(2,3)10-17(16(18)12-22-25)23-19(26)13-24-8-9-28-20(24)27/h4-7,12,17H,8-11,13H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyWLPKYFLHBFUTEH-QGZVFWFLSA-N
MW382.46 g/mol
LogP2.76
Rot. Bonds4

About N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 42195775) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID42195775
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CN2CCOC2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-14-4-6-15(7-5-14)25-18-11-21(2,3)10-17(16(18)12-22-25)23-19(26)13-24-8-9-28-20(24)27/h4-7,12,17H,8-11,13H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyWLPKYFLHBFUTEH-QGZVFWFLSA-N
XLogP2.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 42195775) is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CN2CCOC2=O)cc1.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is WLPKYFLHBFUTEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-4-6-15(7-5-14)25-18-11-21(2,3)10-17(16(18)12-22-25)23-19(26)13-24-8-9-28-20(24)27/h4-7,12,17H,8-11,13H2,1-3H3,(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 42195775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).