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

C21H17FN4O2 — CID 5226922

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C21H17FN4O2/c1-14-19(20(25-28-14)16-5-3-2-4-6-16)21(27)23-18-11-12-26(24-18)13-15-7-9-17(22)10-8-15/h2-12H,13H2,1H3,(H,23,24,27)
InChIKeyXIJIVFIOGMYHAS-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.29
Rot. Bonds5

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 5226922) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID5226922
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C21H17FN4O2/c1-14-19(20(25-28-14)16-5-3-2-4-6-16)21(27)23-18-11-12-26(24-18)13-15-7-9-17(22)10-8-15/h2-12H,13H2,1H3,(H,23,24,27)
InChIKeyXIJIVFIOGMYHAS-UHFFFAOYSA-N
XLogP4.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 5226922) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XIJIVFIOGMYHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14-19(20(25-28-14)16-5-3-2-4-6-16)21(27)23-18-11-12-26(24-18)13-15-7-9-17(22)10-8-15/h2-12H,13H2,1H3,(H,23,24,27).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 5226922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).