5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide

C21H26N4O4 — CID 48989082

IUPAC5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCC(C)Cn3nc(C)cc3C)no2)c1
InChIInChI=1S/C21H26N4O4/c1-13(12-25-15(3)8-14(2)23-25)11-22-21(26)18-10-20(29-24-18)17-9-16(27-4)6-7-19(17)28-5/h6-10,13H,11-12H2,1-5H3,(H,22,26)
InChIKeyIBWYVQXVRVXGSH-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.24
Rot. Bonds8

About 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide (PubChem CID 48989082) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
PubChem CID48989082
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCC(C)Cn3nc(C)cc3C)no2)c1
InChIInChI=1S/C21H26N4O4/c1-13(12-25-15(3)8-14(2)23-25)11-22-21(26)18-10-20(29-24-18)17-9-16(27-4)6-7-19(17)28-5/h6-10,13H,11-12H2,1-5H3,(H,22,26)
InChIKeyIBWYVQXVRVXGSH-UHFFFAOYSA-N
XLogP3.24
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
CID 94809649
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 94028973
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789
(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46963594
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93143963
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3236902
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide (CID 48989082) is 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCC(C)Cn3nc(C)cc3C)no2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IBWYVQXVRVXGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-13(12-25-15(3)8-14(2)23-25)11-22-21(26)18-10-20(29-24-18)17-9-16(27-4)6-7-19(17)28-5/h6-10,13H,11-12H2,1-5H3,(H,22,26).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 48989082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).