N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide

C19H21F3N4O2 — CID 164536769

IUPACN'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide
SMILESCC(C)(C)c1cc(/N=C(\N)C2CCC(=O)N2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H21F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(23)13-8-9-16(27)26(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H2,23,24,25)
InChIKeyLZTXPSJYEHXVGZ-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.18
Rot. Bonds3

About N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide

N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide (PubChem CID 164536769) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide
PubChem CID164536769
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide
SMILESCC(C)(C)c1cc(/N=C(\N)C2CCC(=O)N2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H21F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(23)13-8-9-16(27)26(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H2,23,24,25)
InChIKeyLZTXPSJYEHXVGZ-UHFFFAOYSA-N
XLogP4.18
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide?
The IUPAC name of N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide (CID 164536769) is N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide is CC(C)(C)c1cc(/N=C(\N)C2CCC(=O)N2c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide?
The InChIKey is LZTXPSJYEHXVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(23)13-8-9-16(27)26(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H2,23,24,25).
What are the key properties of N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide?
N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide has a molecular weight of 394.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-1,2-oxazol-3-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboximidamide is sourced from PubChem (CID 164536769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).