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

C13H16N4O4 — CID 75368329

IUPAC5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)c2cc(C)n(C)n2)c1C(=O)O
InChIInChI=1S/C13H16N4O4/c1-6-5-9(15-17(6)4)12(18)14-8(3)11-10(13(19)20)7(2)16-21-11/h5,8H,1-4H3,(H,14,18)(H,19,20)/t8-/m1/s1
InChIKeyCVSAKVHIFGAHTG-MRVPVSSYSA-N
MW292.30 g/mol
LogP1.21
Rot. Bonds4

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

5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368329) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID75368329
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)c2cc(C)n(C)n2)c1C(=O)O
InChIInChI=1S/C13H16N4O4/c1-6-5-9(15-17(6)4)12(18)14-8(3)11-10(13(19)20)7(2)16-21-11/h5,8H,1-4H3,(H,14,18)(H,19,20)/t8-/m1/s1
InChIKeyCVSAKVHIFGAHTG-MRVPVSSYSA-N
XLogP1.21
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 75368329) is 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc([C@@H](C)NC(=O)c2cc(C)n(C)n2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is CVSAKVHIFGAHTG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-6-5-9(15-17(6)4)12(18)14-8(3)11-10(13(19)20)7(2)16-21-11/h5,8H,1-4H3,(H,14,18)(H,19,20)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).