N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline

C13H13F3N2O — CID 10588089

IUPACN-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline
SMILESCc1ccc(N/C(=C\C2=NCCO2)C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O/c1-9-2-4-10(5-3-9)18-11(13(14,15)16)8-12-17-6-7-19-12/h2-5,8,18H,6-7H2,1H3/b11-8-
InChIKeyDSNKQWHCGQSYKG-FLIBITNWSA-N
MW270.25 g/mol
LogP3.28
Rot. Bonds3

About N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline

N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline (PubChem CID 10588089) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline
PubChem CID10588089
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline
SMILESCc1ccc(N/C(=C\C2=NCCO2)C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O/c1-9-2-4-10(5-3-9)18-11(13(14,15)16)8-12-17-6-7-19-12/h2-5,8,18H,6-7H2,1H3/b11-8-
InChIKeyDSNKQWHCGQSYKG-FLIBITNWSA-N
XLogP3.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline?
The IUPAC name of N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline (CID 10588089) is N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline.
What is the SMILES notation for N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline?
The canonical SMILES for N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline is Cc1ccc(N/C(=C\C2=NCCO2)C(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline?
The InChIKey is DSNKQWHCGQSYKG-FLIBITNWSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9-2-4-10(5-3-9)18-11(13(14,15)16)8-12-17-6-7-19-12/h2-5,8,18H,6-7H2,1H3/b11-8-.
What are the key properties of N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline?
N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline has a molecular weight of 270.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline is sourced from PubChem (CID 10588089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).