N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide

C12H10F3N3O3 — CID 153313566

IUPACN-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C12H10F3N3O3/c1-2-9(20)16-6-3-4-7(8(19)5-6)10-17-11(21-18-10)12(13,14)15/h3-5,19H,2H2,1H3,(H,16,20)
InChIKeyJSMVSLODUPZWGQ-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.81
Rot. Bonds3

About N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide

N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 153313566) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
PubChem CID153313566
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC NameN-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C12H10F3N3O3/c1-2-9(20)16-6-3-4-7(8(19)5-6)10-17-11(21-18-10)12(13,14)15/h3-5,19H,2H2,1H3,(H,16,20)
InChIKeyJSMVSLODUPZWGQ-UHFFFAOYSA-N
XLogP2.81
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 155192602
N-[[2-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 135326209
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139464968
N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide
CID 54419998
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
7-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]heptanamide
CID 119767457
1-propan-2-yl-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 54470353
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 140911369

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 153313566) is N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)c(O)c1.
What is the InChIKey of N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
The InChIKey is JSMVSLODUPZWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-2-9(20)16-6-3-4-7(8(19)5-6)10-17-11(21-18-10)12(13,14)15/h3-5,19H,2H2,1H3,(H,16,20).
What are the key properties of N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide?
N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 301.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 153313566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).