2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid

C10H12N4O4 — CID 114256011

IUPAC2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(CNc2nc(C(=O)O)co2)nn1C
InChIInChI=1S/C10H12N4O4/c1-14-8(17-2)3-6(13-14)4-11-10-12-7(5-18-10)9(15)16/h3,5H,4H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyZQSKAZOVASFMRU-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.73
Rot. Bonds5

About 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid

2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 114256011) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID114256011
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(CNc2nc(C(=O)O)co2)nn1C
InChIInChI=1S/C10H12N4O4/c1-14-8(17-2)3-6(13-14)4-11-10-12-7(5-18-10)9(15)16/h3,5H,4H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyZQSKAZOVASFMRU-UHFFFAOYSA-N
XLogP0.73
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-6-methylpyridin-2-amine
CID 114256789
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 114256795
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 106373101
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764
2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid
CID 167888031
(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
CID 114255886
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
CID 114256149
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114256788
N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255775
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid (CID 114256011) is 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid is COc1cc(CNc2nc(C(=O)O)co2)nn1C.
What is the InChIKey of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZQSKAZOVASFMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-14-8(17-2)3-6(13-14)4-11-10-12-7(5-18-10)9(15)16/h3,5H,4H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid?
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 114256011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).