2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate

C14H14F3NO3 — CID 71003667

IUPAC2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate
SMILESCC(=O)OCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C14H14F3NO3/c1-9(19)20-7-6-13-18-12(8-21-13)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-8H2,1H3
InChIKeyNCODVHRLHRPBPF-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.13
Rot. Bonds4

About 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate

2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate (PubChem CID 71003667) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate
PubChem CID71003667
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate
SMILESCC(=O)OCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C14H14F3NO3/c1-9(19)20-7-6-13-18-12(8-21-13)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-8H2,1H3
InChIKeyNCODVHRLHRPBPF-UHFFFAOYSA-N
XLogP3.13
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate (CID 71003667) is 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate is CC(=O)OCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate?
The InChIKey is NCODVHRLHRPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-9(19)20-7-6-13-18-12(8-21-13)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate?
2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate has a molecular weight of 301.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethyl acetate is sourced from PubChem (CID 71003667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).