4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

C19H20N4O5 — CID 162815951

IUPAC4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)c2C(C)NC(=O)c2cc(C)n(C)n2)cc1
InChIInChI=1S/C19H20N4O5/c1-10-9-14(21-23(10)3)18(24)20-11(2)15-16(22-28-17(15)19(25)26)12-5-7-13(27-4)8-6-12/h5-9,11H,1-4H3,(H,20,24)(H,25,26)
InChIKeyMUURONUGGNTPNH-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.58
Rot. Bonds6

About 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 162815951) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID162815951
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)c2C(C)NC(=O)c2cc(C)n(C)n2)cc1
InChIInChI=1S/C19H20N4O5/c1-10-9-14(21-23(10)3)18(24)20-11(2)15-16(22-28-17(15)19(25)26)12-5-7-13(27-4)8-6-12/h5-9,11H,1-4H3,(H,20,24)(H,25,26)
InChIKeyMUURONUGGNTPNH-UHFFFAOYSA-N
XLogP2.58
TPSA119.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid with MolForge

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Related Compounds

3-(4-methoxyphenyl)-4-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 162935431
3-(4-methoxyphenyl)-4-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368130
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 163101755
3-(4-chlorophenyl)-4-[(1R)-1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368152
3-(4-chlorophenyl)-4-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 162798289
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 92614454
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110900448
3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368239
3-(4-fluorophenyl)-4-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368173
3-(4-fluorophenyl)-4-[1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 163002409

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 162815951) is 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is COc1ccc(-c2noc(C(=O)O)c2C(C)NC(=O)c2cc(C)n(C)n2)cc1.
What is the InChIKey of 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is MUURONUGGNTPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-10-9-14(21-23(10)3)18(24)20-11(2)15-16(22-28-17(15)19(25)26)12-5-7-13(27-4)8-6-12/h5-9,11H,1-4H3,(H,20,24)(H,25,26).
What are the key properties of 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 384.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 162815951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).