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

C22H30N4O2 — CID 24817437

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCN2CCCO2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-5-7-17(8-6-16)26-20-14-22(2,3)13-19(18(20)15-23-26)24-21(27)9-11-25-10-4-12-28-25/h5-8,15,19H,4,9-14H2,1-3H3,(H,24,27)
InChIKeyVWFVAOYLSUIFBE-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.34
Rot. Bonds5

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

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide (PubChem CID 24817437) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide
PubChem CID24817437
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCN2CCCO2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-5-7-17(8-6-16)26-20-14-22(2,3)13-19(18(20)15-23-26)24-21(27)9-11-25-10-4-12-28-25/h5-8,15,19H,4,9-14H2,1-3H3,(H,24,27)
InChIKeyVWFVAOYLSUIFBE-UHFFFAOYSA-N
XLogP3.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide (CID 24817437) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCN2CCCO2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The InChIKey is VWFVAOYLSUIFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-5-7-17(8-6-16)26-20-14-22(2,3)13-19(18(20)15-23-26)24-21(27)9-11-25-10-4-12-28-25/h5-8,15,19H,4,9-14H2,1-3H3,(H,24,27).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1,2-oxazolidin-2-yl)propanamide is sourced from PubChem (CID 24817437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).