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

C23H28N4O3 — CID 46959436

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)on1
InChIInChI=1S/C23H28N4O3/c1-15-5-7-16(8-6-15)27-20-13-23(2,3)12-19(18(20)14-24-27)25-21(28)10-9-17-11-22(29-4)26-30-17/h5-8,11,14,19H,9-10,12-13H2,1-4H3,(H,25,28)
InChIKeyLNPKWOCJEUKQLU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.94
Rot. Bonds6

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

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (PubChem CID 46959436) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
PubChem CID46959436
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)on1
InChIInChI=1S/C23H28N4O3/c1-15-5-7-16(8-6-15)27-20-13-23(2,3)12-19(18(20)14-24-27)25-21(28)10-9-17-11-22(29-4)26-30-17/h5-8,11,14,19H,9-10,12-13H2,1-4H3,(H,25,28)
InChIKeyLNPKWOCJEUKQLU-UHFFFAOYSA-N
XLogP3.94
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 25461275
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 42287055
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 24794171
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide
CID 25374120
2-(1,3-benzodioxol-5-yl)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25460962
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 42382856
2-(4-acetylphenoxy)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 42454747
1-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 72900997
1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 97138121
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
(E)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylpent-2-enamide
CID 42595969

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (CID 46959436) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is COc1cc(CCC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)on1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The InChIKey is LNPKWOCJEUKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-5-7-16(8-6-15)27-20-13-23(2,3)12-19(18(20)14-24-27)25-21(28)10-9-17-11-22(29-4)26-30-17/h5-8,11,14,19H,9-10,12-13H2,1-4H3,(H,25,28).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide has a molecular weight of 408.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-methoxy-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 46959436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).