N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide

C20H22N4O2 — CID 24793434

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-13-18(26-12-21-13)19(25)23-16-9-20(2,3)10-17-15(16)11-22-24(17)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,23,25)
InChIKeyMZDHGLVMJLBRNV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.61
Rot. Bonds3

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 24793434) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID24793434
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-13-18(26-12-21-13)19(25)23-16-9-20(2,3)10-17-15(16)11-22-24(17)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,23,25)
InChIKeyMZDHGLVMJLBRNV-UHFFFAOYSA-N
XLogP3.61
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 24791110
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-oxazolecarboxamide
CID 24793445
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 24793919
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 45232548
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 24793900
N-({2-Benzyl-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 124043607
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 45229079
US12358907, Example 45b
CID 154598037
US12358907, Example 45a
CID 154598154
4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide
CID 177051301
N-({2-Benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 91909747
5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 95933647

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide (CID 24793434) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is MZDHGLVMJLBRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-18(26-12-21-13)19(25)23-16-9-20(2,3)10-17-15(16)11-22-24(17)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.61, 3 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-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 24793434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).