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

C14H15F3N4O2 — CID 22586645

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)no1
InChIInChI=1S/C14H15F3N4O2/c1-8-6-9(19-23-8)10-4-3-5-21(10)13(22)11-7-12(14(15,16)17)18-20(11)2/h6-7,10H,3-5H2,1-2H3
InChIKeyIERVBRDWGFUIRG-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.71
Rot. Bonds2

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

[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (PubChem CID 22586645) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
PubChem CID22586645
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)no1
InChIInChI=1S/C14H15F3N4O2/c1-8-6-9(19-23-8)10-4-3-5-21(10)13(22)11-7-12(14(15,16)17)18-20(11)2/h6-7,10H,3-5H2,1-2H3
InChIKeyIERVBRDWGFUIRG-UHFFFAOYSA-N
XLogP2.71
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (CID 22586645) is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is Cc1cc(C2CCCN2C(=O)c2cc(C(F)(F)F)nn2C)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The InChIKey is IERVBRDWGFUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8-6-9(19-23-8)10-4-3-5-21(10)13(22)11-7-12(14(15,16)17)18-20(11)2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone has a molecular weight of 328.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 22586645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).