4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid

C15H11FN4O4 — CID 19406237

IUPAC4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C(=O)O
InChIInChI=1S/C15H11FN4O4/c1-20-13(15(22)23)11(7-17-20)18-14(21)10-6-12(24-19-10)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,21)(H,22,23)
InChIKeyRHLXAAHIGHMYRI-UHFFFAOYSA-N
MW330.28 g/mol
LogP2.16
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid

4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19406237) has the molecular formula C15H11FN4O4 and a molecular weight of 330.28 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19406237
Molecular FormulaC15H11FN4O4
Molecular Weight330.28 g/mol
Exact Mass330.08
IUPAC Name4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C(=O)O
InChIInChI=1S/C15H11FN4O4/c1-20-13(15(22)23)11(7-17-20)18-14(21)10-6-12(24-19-10)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,21)(H,22,23)
InChIKeyRHLXAAHIGHMYRI-UHFFFAOYSA-N
XLogP2.16
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862758
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19339982
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 3571866
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406013
4-(furan-2-carbonylamino)-1-methylpyrazole-5-carboxylic acid
CID 19406055
4-[(1-ethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19405969
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19294420

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid (CID 19406237) is 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid is Cn1ncc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C(=O)O.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is RHLXAAHIGHMYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O4/c1-20-13(15(22)23)11(7-17-20)18-14(21)10-6-12(24-19-10)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,21)(H,22,23).
What are the key properties of 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid?
4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 330.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19406237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).