5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide

C16H15F3N2O2 — CID 74247137

IUPAC5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1ncoc1C1CC1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-3-1-2-10(8-12)6-7-20-15(22)13-14(11-4-5-11)23-9-21-13/h1-3,8-9,11H,4-7H2,(H,20,22)
InChIKeyXVJBOOXGHJBMED-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.54
Rot. Bonds5

About 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 74247137) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID74247137
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1ncoc1C1CC1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-3-1-2-10(8-12)6-7-20-15(22)13-14(11-4-5-11)23-9-21-13/h1-3,8-9,11H,4-7H2,(H,20,22)
InChIKeyXVJBOOXGHJBMED-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide (CID 74247137) is 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(C(F)(F)F)c1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XVJBOOXGHJBMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)12-3-1-2-10(8-12)6-7-20-15(22)13-14(11-4-5-11)23-9-21-13/h1-3,8-9,11H,4-7H2,(H,20,22).
What are the key properties of 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74247137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).