2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide

C15H14F3N3O2 — CID 136533709

IUPAC2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide
SMILESO=C(Cc1ccon1)Nc1cccc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)9-21-7-10-2-1-3-13(12(10)8-21)19-14(22)6-11-4-5-23-20-11/h1-5H,6-9H2,(H,19,22)
InChIKeyNQPSBDSFSIAMED-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.73
Rot. Bonds4

About 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide

2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide (PubChem CID 136533709) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide
PubChem CID136533709
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide
SMILESO=C(Cc1ccon1)Nc1cccc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)9-21-7-10-2-1-3-13(12(10)8-21)19-14(22)6-11-4-5-23-20-11/h1-5H,6-9H2,(H,19,22)
InChIKeyNQPSBDSFSIAMED-UHFFFAOYSA-N
XLogP2.73
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858552
N-(2-chlorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858749
N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]methanesulfonamide
CID 91661751
1-[(1R)-cyclohex-3-en-1-yl]-3-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]urea
CID 124625465
2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
CID 102562753
(6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
CID 99793940
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]urea
CID 126767453
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]urea
CID 99800137
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide
CID 71857429
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide?
The IUPAC name of 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide (CID 136533709) is 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide?
The canonical SMILES for 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide is O=C(Cc1ccon1)Nc1cccc2c1CN(CC(F)(F)F)C2.
What is the InChIKey of 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide?
The InChIKey is NQPSBDSFSIAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)9-21-7-10-2-1-3-13(12(10)8-21)19-14(22)6-11-4-5-23-20-11/h1-5H,6-9H2,(H,19,22).
What are the key properties of 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide?
2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]acetamide is sourced from PubChem (CID 136533709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).