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

C17H12FN5O3 — CID 156596095

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccon2)on1
InChIInChI=1S/C17H12FN5O3/c18-12-3-1-2-11(6-12)9-23-10-13(8-19-23)20-17(24)15-7-16(26-22-15)14-4-5-25-21-14/h1-8,10H,9H2,(H,20,24)
InChIKeyJXLLJAMIOWAHKZ-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.97
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 156596095) has the molecular formula C17H12FN5O3 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID156596095
Molecular FormulaC17H12FN5O3
Molecular Weight353.31 g/mol
Exact Mass353.09
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccon2)on1
InChIInChI=1S/C17H12FN5O3/c18-12-3-1-2-11(6-12)9-23-10-13(8-19-23)20-17(24)15-7-16(26-22-15)14-4-5-25-21-14/h1-8,10H,9H2,(H,20,24)
InChIKeyJXLLJAMIOWAHKZ-UHFFFAOYSA-N
XLogP2.97
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (CID 156596095) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccon2)on1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JXLLJAMIOWAHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O3/c18-12-3-1-2-11(6-12)9-23-10-13(8-19-23)20-17(24)15-7-16(26-22-15)14-4-5-25-21-14/h1-8,10H,9H2,(H,20,24).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 353.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).