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

C16H15FN4O2 — CID 146220606

IUPAC5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C16H15FN4O2/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11/h3-8,10H,2,9H2,1H3,(H,19,22)
InChIKeyHGUILYYDVRAKMY-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.87
Rot. Bonds5

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

5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220606) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220606
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C16H15FN4O2/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11/h3-8,10H,2,9H2,1H3,(H,19,22)
InChIKeyHGUILYYDVRAKMY-UHFFFAOYSA-N
XLogP2.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220606) is 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1.
What is the InChIKey of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HGUILYYDVRAKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-2-14-7-15(20-23-14)16(22)19-13-8-18-21(10-13)9-11-4-3-5-12(17)6-11/h3-8,10H,2,9H2,1H3,(H,19,22).
What are the key properties of 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).