N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide

C13H12F3N3O2 — CID 119303401

IUPACN-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2oc(C(F)(F)F)nc2c1)C1CCCN1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)12-19-9-6-7(3-4-10(9)21-12)18-11(20)8-2-1-5-17-8/h3-4,6,8,17H,1-2,5H2,(H,18,20)
InChIKeySREDXDGLBKDBJT-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.54
Rot. Bonds2

About N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide

N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 119303401) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID119303401
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2oc(C(F)(F)F)nc2c1)C1CCCN1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)12-19-9-6-7(3-4-10(9)21-12)18-11(20)8-2-1-5-17-8/h3-4,6,8,17H,1-2,5H2,(H,18,20)
InChIKeySREDXDGLBKDBJT-UHFFFAOYSA-N
XLogP2.54
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
CID 119893468
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
CID 119749017
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-2-carboxamide
CID 119314167
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119748977
N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 54862032
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 120927738

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide (CID 119303401) is N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide is O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)C1CCCN1.
What is the InChIKey of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is SREDXDGLBKDBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)12-19-9-6-7(3-4-10(9)21-12)18-11(20)8-2-1-5-17-8/h3-4,6,8,17H,1-2,5H2,(H,18,20).
What are the key properties of N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide?
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119303401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).