N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C9H9F4N3O2 — CID 167966103

IUPACN-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CNC[C@@H]1F)c1ncoc1C(F)(F)F
InChIInChI=1S/C9H9F4N3O2/c10-4-1-14-2-5(4)16-8(17)6-7(9(11,12)13)18-3-15-6/h3-5,14H,1-2H2,(H,16,17)/t4-,5+/m0/s1
InChIKeyYDAIUHFXRZOYMF-CRCLSJGQSA-N
MW267.18 g/mol
LogP0.73
Rot. Bonds2

About N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 167966103) has the molecular formula C9H9F4N3O2 and a molecular weight of 267.18 g/mol. Its IUPAC name is N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID167966103
Molecular FormulaC9H9F4N3O2
Molecular Weight267.18 g/mol
Exact Mass267.06
IUPAC NameN-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CNC[C@@H]1F)c1ncoc1C(F)(F)F
InChIInChI=1S/C9H9F4N3O2/c10-4-1-14-2-5(4)16-8(17)6-7(9(11,12)13)18-3-15-6/h3-5,14H,1-2H2,(H,16,17)/t4-,5+/m0/s1
InChIKeyYDAIUHFXRZOYMF-CRCLSJGQSA-N
XLogP0.73
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 167966103) is N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(N[C@@H]1CNC[C@@H]1F)c1ncoc1C(F)(F)F.
What is the InChIKey of N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YDAIUHFXRZOYMF-CRCLSJGQSA-N. The full InChI is InChI=1S/C9H9F4N3O2/c10-4-1-14-2-5(4)16-8(17)6-7(9(11,12)13)18-3-15-6/h3-5,14H,1-2H2,(H,16,17)/t4-,5+/m0/s1.
What are the key properties of N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 267.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167966103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).