N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C21H17FN4O3 — CID 15988804

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H17FN4O3/c1-13-19(21(28)26(25(13)2)16-6-4-3-5-7-16)23-20(27)17-12-18(29-24-17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,27)
InChIKeyWUMNHKKJBGXWNW-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.53
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 15988804) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID15988804
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H17FN4O3/c1-13-19(21(28)26(25(13)2)16-6-4-3-5-7-16)23-20(27)17-12-18(29-24-17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,27)
InChIKeyWUMNHKKJBGXWNW-UHFFFAOYSA-N
XLogP3.53
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 15988804) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WUMNHKKJBGXWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-13-19(21(28)26(25(13)2)16-6-4-3-5-7-16)23-20(27)17-12-18(29-24-17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).