4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one

C9H8F3N5O2 — CID 168658526

IUPAC4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2nc(C(F)(F)F)co2)C1
InChIInChI=1S/C9H8F3N5O2/c10-9(11,12)6-4-19-8(15-6)17-3-5(1-7(17)18)2-14-16-13/h4-5H,1-3H2
InChIKeyYJNOHUPCAGILTO-UHFFFAOYSA-N
MW275.19 g/mol
LogP2.36
Rot. Bonds3

About 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one

4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one (PubChem CID 168658526) has the molecular formula C9H8F3N5O2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one
PubChem CID168658526
Molecular FormulaC9H8F3N5O2
Molecular Weight275.19 g/mol
Exact Mass275.06
IUPAC Name4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2nc(C(F)(F)F)co2)C1
InChIInChI=1S/C9H8F3N5O2/c10-9(11,12)6-4-19-8(15-6)17-3-5(1-7(17)18)2-14-16-13/h4-5H,1-3H2
InChIKeyYJNOHUPCAGILTO-UHFFFAOYSA-N
XLogP2.36
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 168656790
4-(azidomethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 168658246
4-(azidomethyl)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168657860
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168657480
4-(azidomethyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168656677
4-(azidomethyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658023
4-(azidomethyl)-1-(5-bromo-1,3-benzoxazol-2-yl)pyrrolidin-2-one
CID 168658564
4-(azidomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 168657419
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(4-bromo-3,5-difluorophenyl)pyrrolidin-2-one
CID 168657886

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one (CID 168658526) is 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2nc(C(F)(F)F)co2)C1.
What is the InChIKey of 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one?
The InChIKey is YJNOHUPCAGILTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2/c10-9(11,12)6-4-19-8(15-6)17-3-5(1-7(17)18)2-14-16-13/h4-5H,1-3H2.
What are the key properties of 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one?
4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one has a molecular weight of 275.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168658526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).