N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C15H12F3N3O3 — CID 139328525

IUPACN-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(NCC1CC1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)14-20-12(21-24-14)10-5-3-9(4-6-10)11(22)13(23)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,19,23)
InChIKeyBQSMYEDGSZDGAE-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.46
Rot. Bonds5

About N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 139328525) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID139328525
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC NameN-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESO=C(NCC1CC1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)14-20-12(21-24-14)10-5-3-9(4-6-10)11(22)13(23)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,19,23)
InChIKeyBQSMYEDGSZDGAE-UHFFFAOYSA-N
XLogP2.46
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(3S)-piperidin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99776061
3-(oxetan-3-yl)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propane-1,2-dione
CID 157253220
N-(cyclopropylmethylsulfonyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86813056
tert-butyl 4-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 138489818
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
N-(cyclopropylmethyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 146461232
ethyl 2-oxo-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]acetate
CID 129285064
N-(cyclopropylmethyl)-2-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768546
cis-(1R,3S)-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677738
2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide
CID 137366430

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 139328525) is N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is O=C(NCC1CC1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is BQSMYEDGSZDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c16-15(17,18)14-20-12(21-24-14)10-5-3-9(4-6-10)11(22)13(23)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 339.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 139328525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).