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

C16H18F2N2O2 — CID 155959046

IUPAC3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(CC(F)F)c1ccccc1)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H18F2N2O2/c17-15(18)9-12(10-4-2-1-3-5-10)19-16(21)14-8-13(20-22-14)11-6-7-11/h1-5,11-12,14-15H,6-9H2,(H,19,21)
InChIKeyCZYMUAWGZUOAAA-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.05
Rot. Bonds6

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

3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155959046) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155959046
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(CC(F)F)c1ccccc1)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H18F2N2O2/c17-15(18)9-12(10-4-2-1-3-5-10)19-16(21)14-8-13(20-22-14)11-6-7-11/h1-5,11-12,14-15H,6-9H2,(H,19,21)
InChIKeyCZYMUAWGZUOAAA-UHFFFAOYSA-N
XLogP3.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.05
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-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155959046) is 3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC(CC(F)F)c1ccccc1)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CZYMUAWGZUOAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c17-15(18)9-12(10-4-2-1-3-5-10)19-16(21)14-8-13(20-22-14)11-6-7-11/h1-5,11-12,14-15H,6-9H2,(H,19,21).
What are the key properties of 3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 3.05, 6 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-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155959046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).