N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

C21H17FN4O2 — CID 46975857

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2)n1
InChIInChI=1S/C21H17FN4O2/c1-13-10-14(2)26(24-13)18-8-6-17(7-9-18)23-21(27)20-12-19(25-28-20)15-4-3-5-16(22)11-15/h3-12H,1-2H3,(H,23,27)
InChIKeyBCODLPCWJZZFFZ-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.54
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 46975857) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID46975857
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2)n1
InChIInChI=1S/C21H17FN4O2/c1-13-10-14(2)26(24-13)18-8-6-17(7-9-18)23-21(27)20-12-19(25-28-20)15-4-3-5-16(22)11-15/h3-12H,1-2H3,(H,23,27)
InChIKeyBCODLPCWJZZFFZ-UHFFFAOYSA-N
XLogP4.54
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 46975857) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is BCODLPCWJZZFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13-10-14(2)26(24-13)18-8-6-17(7-9-18)23-21(27)20-12-19(25-28-20)15-4-3-5-16(22)11-15/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46975857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).