3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H17F3N2O2 — CID 155957345

IUPAC3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(CC(F)(F)F)c1ccccc1)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)9-13(10-4-2-1-3-5-10)20-15(22)14-8-12(21-23-14)11-6-7-11/h1-5,11,13-14H,6-9H2,(H,20,22)
InChIKeyYZPOQRIQEANBJK-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.35
Rot. Bonds5

About 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155957345) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155957345
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(CC(F)(F)F)c1ccccc1)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)9-13(10-4-2-1-3-5-10)20-15(22)14-8-12(21-23-14)11-6-7-11/h1-5,11,13-14H,6-9H2,(H,20,22)
InChIKeyYZPOQRIQEANBJK-UHFFFAOYSA-N
XLogP3.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155957345) is 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC(CC(F)(F)F)c1ccccc1)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YZPOQRIQEANBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)9-13(10-4-2-1-3-5-10)20-15(22)14-8-12(21-23-14)11-6-7-11/h1-5,11,13-14H,6-9H2,(H,20,22).
What are the key properties of 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155957345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).