N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H14F3N3O2 — CID 65487395

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(NC(=O)C2(C(F)(F)F)CCNC2)c1C
InChIInChI=1S/C11H14F3N3O2/c1-6-7(2)17-19-8(6)16-9(18)10(11(12,13)14)3-4-15-5-10/h15H,3-5H2,1-2H3,(H,16,18)
InChIKeyNOVNWSFLZIIZSN-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.77
Rot. Bonds2

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 65487395) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID65487395
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(NC(=O)C2(C(F)(F)F)CCNC2)c1C
InChIInChI=1S/C11H14F3N3O2/c1-6-7(2)17-19-8(6)16-9(18)10(11(12,13)14)3-4-15-5-10/h15H,3-5H2,1-2H3,(H,16,18)
InChIKeyNOVNWSFLZIIZSN-UHFFFAOYSA-N
XLogP1.77
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 65487395) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1noc(NC(=O)C2(C(F)(F)F)CCNC2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NOVNWSFLZIIZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6-7(2)17-19-8(6)16-9(18)10(11(12,13)14)3-4-15-5-10/h15H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65487395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).