N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C15H13F3N4O3 — CID 154795996

IUPACN-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCN1CC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C(=O)N1
InChIInChI=1S/C15H13F3N4O3/c1-22-7-11(14(24)20-22)19-13(23)10-6-12(25-21-10)8-4-2-3-5-9(8)15(16,17)18/h2-6,11H,7H2,1H3,(H,19,23)(H,20,24)
InChIKeyBJTPVSYFMQOUIW-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.44
Rot. Bonds3

About N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 154795996) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID154795996
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCN1CC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C(=O)N1
InChIInChI=1S/C15H13F3N4O3/c1-22-7-11(14(24)20-22)19-13(23)10-6-12(25-21-10)8-4-2-3-5-9(8)15(16,17)18/h2-6,11H,7H2,1H3,(H,19,23)(H,20,24)
InChIKeyBJTPVSYFMQOUIW-UHFFFAOYSA-N
XLogP1.44
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 126811277
N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 164607309
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide
CID 128562638
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 55639151
N-[(1S)-1-cyanoethyl]-N-methyl-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 129488415
5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
5-(furan-2-yl)-N-[(3R)-2-oxopiperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 94363969
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 126771353

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 154795996) is N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is CN1CC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C(=O)N1.
What is the InChIKey of N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BJTPVSYFMQOUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-22-7-11(14(24)20-22)19-13(23)10-6-12(25-21-10)8-4-2-3-5-9(8)15(16,17)18/h2-6,11H,7H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-oxopyrazolidin-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154795996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).