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

C9H10F3N3O2 — CID 55227832

IUPACN-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnoc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)8(1-2-13-5-8)7(16)15-6-3-14-17-4-6/h3-4,13H,1-2,5H2,(H,15,16)
InChIKeyLTEQERKVNNIVAJ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.16
Rot. Bonds2

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

N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227832) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227832
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnoc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)8(1-2-13-5-8)7(16)15-6-3-14-17-4-6/h3-4,13H,1-2,5H2,(H,15,16)
InChIKeyLTEQERKVNNIVAJ-UHFFFAOYSA-N
XLogP1.16
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227832) is N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1cnoc1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is LTEQERKVNNIVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)8(1-2-13-5-8)7(16)15-6-3-14-17-4-6/h3-4,13H,1-2,5H2,(H,15,16).
What are the key properties of N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).