N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

C20H22N4O2 — CID 24791110

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2ocnc2C)cc1C
InChIInChI=1S/C20H22N4O2/c1-12-7-8-15(9-13(12)2)24-18-6-4-5-17(16(18)10-22-24)23-20(25)19-14(3)21-11-26-19/h7-11,17H,4-6H2,1-3H3,(H,23,25)
InChIKeyUTUDSHWPIGHZMZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.59
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 24791110) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID24791110
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2ocnc2C)cc1C
InChIInChI=1S/C20H22N4O2/c1-12-7-8-15(9-13(12)2)24-18-6-4-5-17(16(18)10-22-24)23-20(25)19-14(3)21-11-26-19/h7-11,17H,4-6H2,1-3H3,(H,23,25)
InChIKeyUTUDSHWPIGHZMZ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

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-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide
CID 24793434
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
5-propan-2-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 95933647
N-[3-fluoro-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 90395907

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 24791110) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ccc(-n2ncc3c2CCCC3NC(=O)c2ocnc2C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is UTUDSHWPIGHZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-7-8-15(9-13(12)2)24-18-6-4-5-17(16(18)10-22-24)23-20(25)19-14(3)21-11-26-19/h7-11,17H,4-6H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 24791110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).