N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H17FN4O2 — CID 19493567

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)c(C)n1
InChIInChI=1S/C16H17FN4O2/c1-3-21-9-14(10(2)19-21)18-16(22)15-8-13(20-23-15)11-4-6-12(17)7-5-11/h4-7,9,15H,3,8H2,1-2H3,(H,18,22)
InChIKeyLIVHOEMMFYPUBY-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.48
Rot. Bonds4

About N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493567) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493567
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)c(C)n1
InChIInChI=1S/C16H17FN4O2/c1-3-21-9-14(10(2)19-21)18-16(22)15-8-13(20-23-15)11-4-6-12(17)7-5-11/h4-7,9,15H,3,8H2,1-2H3,(H,18,22)
InChIKeyLIVHOEMMFYPUBY-UHFFFAOYSA-N
XLogP2.48
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493567) is N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LIVHOEMMFYPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-3-21-9-14(10(2)19-21)18-16(22)15-8-13(20-23-15)11-4-6-12(17)7-5-11/h4-7,9,15H,3,8H2,1-2H3,(H,18,22).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).