5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H12N4O4 — CID 107426768

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H12N4O4/c1-4-8(5(2)13-12-4)11-9(15)7-3-6(10(16)17)14-18-7/h7H,3H2,1-2H3,(H,11,15)(H,12,13)(H,16,17)
InChIKeyUSKQKZRJJACPDJ-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.19
Rot. Bonds3

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426768) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426768
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H12N4O4/c1-4-8(5(2)13-12-4)11-9(15)7-3-6(10(16)17)14-18-7/h7H,3H2,1-2H3,(H,11,15)(H,12,13)(H,16,17)
InChIKeyUSKQKZRJJACPDJ-UHFFFAOYSA-N
XLogP0.19
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79776778
5-[(2-aminophenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426835
N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 43547730
5-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427452
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107642750
5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427469
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyloxolane-2-carboxamide
CID 81448276
N-(3,5-dimethyl-1H-pyrazol-4-yl)oxane-3-carboxamide
CID 62759395
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 106283544
5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427037
N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 43547728
5-[(3-methylsulfanylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426571

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426768) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is Cc1n[nH]c(C)c1NC(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is USKQKZRJJACPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-4-8(5(2)13-12-4)11-9(15)7-3-6(10(16)17)14-18-7/h7H,3H2,1-2H3,(H,11,15)(H,12,13)(H,16,17).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).