N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H14F3N3O3 — CID 154843693

IUPACN-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCc1cnc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)o1
InChIInChI=1S/C12H14F3N3O3/c1-2-8-4-16-11(21-8)17-10(20)7-3-9(19)18(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17,20)
InChIKeyMQBAOXZAXNQRNV-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.59
Rot. Bonds4

About N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 154843693) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID154843693
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCc1cnc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)o1
InChIInChI=1S/C12H14F3N3O3/c1-2-8-4-16-11(21-8)17-10(20)7-3-9(19)18(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17,20)
InChIKeyMQBAOXZAXNQRNV-UHFFFAOYSA-N
XLogP1.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 154843693) is N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCc1cnc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)o1.
What is the InChIKey of N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is MQBAOXZAXNQRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-2-8-4-16-11(21-8)17-10(20)7-3-9(19)18(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17,20).
What are the key properties of N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-oxazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154843693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).