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

C17H17FN6O2 — CID 171990939

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1coc(C2CNNC2)n1
InChIInChI=1S/C17H17FN6O2/c18-13-3-1-11(2-4-13)8-24-9-14(7-21-24)22-16(25)15-10-26-17(23-15)12-5-19-20-6-12/h1-4,7,9-10,12,19-20H,5-6,8H2,(H,22,25)
InChIKeyLTLPLXWEVFXSSE-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.50
Rot. Bonds5

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 171990939) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID171990939
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1coc(C2CNNC2)n1
InChIInChI=1S/C17H17FN6O2/c18-13-3-1-11(2-4-13)8-24-9-14(7-21-24)22-16(25)15-10-26-17(23-15)12-5-19-20-6-12/h1-4,7,9-10,12,19-20H,5-6,8H2,(H,22,25)
InChIKeyLTLPLXWEVFXSSE-UHFFFAOYSA-N
XLogP1.50
TPSA97.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide (CID 171990939) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1coc(C2CNNC2)n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is LTLPLXWEVFXSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-13-3-1-11(2-4-13)8-24-9-14(7-21-24)22-16(25)15-10-26-17(23-15)12-5-19-20-6-12/h1-4,7,9-10,12,19-20H,5-6,8H2,(H,22,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-pyrazolidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171990939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).