[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C16H19F3N4O2 — CID 50809165

IUPAC[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C16H19F3N4O2/c1-4-12-14(9(2)21-25-12)11-6-5-7-23(11)15(24)10-8-13(16(17,18)19)22(3)20-10/h8,11H,4-7H2,1-3H3
InChIKeyLFRNSJNCJGRVGN-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.28
Rot. Bonds3

About [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 50809165) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID50809165
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C16H19F3N4O2/c1-4-12-14(9(2)21-25-12)11-6-5-7-23(11)15(24)10-8-13(16(17,18)19)22(3)20-10/h8,11H,4-7H2,1-3H3
InChIKeyLFRNSJNCJGRVGN-UHFFFAOYSA-N
XLogP3.28
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 50809165) is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is CCc1onc(C)c1C1CCCN1C(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is LFRNSJNCJGRVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-4-12-14(9(2)21-25-12)11-6-5-7-23(11)15(24)10-8-13(16(17,18)19)22(3)20-10/h8,11H,4-7H2,1-3H3.
What are the key properties of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 356.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 50809165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).