N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C15H14F3N5O3 — CID 129270682

IUPACN-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCN1CC(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C(=O)N1
InChIInChI=1S/C15H14F3N5O3/c1-2-23-7-10(13(25)21-23)19-12(24)9-5-3-8(4-6-9)11-20-14(26-22-11)15(16,17)18/h3-6,10H,2,7H2,1H3,(H,19,24)(H,21,25)
InChIKeyDWWWWDHDYZYJMH-UHFFFAOYSA-N
MW369.30 g/mol
LogP1.22
Rot. Bonds4

About N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 129270682) has the molecular formula C15H14F3N5O3 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID129270682
Molecular FormulaC15H14F3N5O3
Molecular Weight369.30 g/mol
Exact Mass369.10
IUPAC NameN-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCN1CC(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C(=O)N1
InChIInChI=1S/C15H14F3N5O3/c1-2-23-7-10(13(25)21-23)19-12(24)9-5-3-8(4-6-9)11-20-14(26-22-11)15(16,17)18/h3-6,10H,2,7H2,1H3,(H,19,24)(H,21,25)
InChIKeyDWWWWDHDYZYJMH-UHFFFAOYSA-N
XLogP1.22
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99815479
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881614
cis-(1R,3S)-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677738
N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
CID 130442122
N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543
N-[1-[(5R)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 122669521
N-[1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 122669523
N-(cyclopropylmethylsulfonyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86813056

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 129270682) is N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CCN1CC(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C(=O)N1.
What is the InChIKey of N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is DWWWWDHDYZYJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O3/c1-2-23-7-10(13(25)21-23)19-12(24)9-5-3-8(4-6-9)11-20-14(26-22-11)15(16,17)18/h3-6,10H,2,7H2,1H3,(H,19,24)(H,21,25).
What are the key properties of N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 369.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 129270682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).