N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H12F3N3O2 — CID 106416933

IUPACN-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccno1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(2-4-14-6-9)8(17)15-5-7-1-3-16-18-7/h1,3,14H,2,4-6H2,(H,15,17)
InChIKeyXVCRRPIWSVFUQG-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.83
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106416933) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106416933
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccno1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(2-4-14-6-9)8(17)15-5-7-1-3-16-18-7/h1,3,14H,2,4-6H2,(H,15,17)
InChIKeyXVCRRPIWSVFUQG-UHFFFAOYSA-N
XLogP0.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.83
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-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106416933) is N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccno1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XVCRRPIWSVFUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)9(2-4-14-6-9)8(17)15-5-7-1-3-16-18-7/h1,3,14H,2,4-6H2,(H,15,17).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106416933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).