5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

C21H26N4O3 — CID 92560797

IUPAC5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)on1
InChIInChI=1S/C21H26N4O3/c1-14-7-6-8-17(9-14)12-25(15(2)13-27-5)21(26)19-10-20(28-23-19)18-11-22-24(4)16(18)3/h6-11,15H,12-13H2,1-5H3/t15-/m0/s1
InChIKeyWMWBQCIREFODGO-HNNXBMFYSA-N
MW382.46 g/mol
LogP3.37
Rot. Bonds7

About 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 92560797) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID92560797
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)on1
InChIInChI=1S/C21H26N4O3/c1-14-7-6-8-17(9-14)12-25(15(2)13-27-5)21(26)19-10-20(28-23-19)18-11-22-24(4)16(18)3/h6-11,15H,12-13H2,1-5H3/t15-/m0/s1
InChIKeyWMWBQCIREFODGO-HNNXBMFYSA-N
XLogP3.37
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 51586593
ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 17024990
N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74242325
3-(1,3-benzodioxol-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51586592
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
6-chloro-N-[(3-fluorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627163
N-benzyl-N-butan-2-yl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55520934
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 97219843
5-(1,5-dimethylpyrazol-4-yl)-N-(4-methoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 163316177
5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 55978226
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976097

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 92560797) is 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)on1.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WMWBQCIREFODGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-7-6-8-17(9-14)12-25(15(2)13-27-5)21(26)19-10-20(28-23-19)18-11-22-24(4)16(18)3/h6-11,15H,12-13H2,1-5H3/t15-/m0/s1.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92560797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).