3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H16F2N2O2 — CID 155959657

IUPAC3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCc2cc(F)c(F)cc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H16F2N2O2/c17-11-5-9-3-4-13(10(9)6-12(11)18)19-16(21)15-7-14(20-22-15)8-1-2-8/h5-6,8,13,15H,1-4,7H2,(H,19,21)
InChIKeyHSKZBHODWBEDLW-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.62
Rot. Bonds3

About 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155959657) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155959657
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCc2cc(F)c(F)cc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H16F2N2O2/c17-11-5-9-3-4-13(10(9)6-12(11)18)19-16(21)15-7-14(20-22-15)8-1-2-8/h5-6,8,13,15H,1-4,7H2,(H,19,21)
InChIKeyHSKZBHODWBEDLW-UHFFFAOYSA-N
XLogP2.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155959657) is 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCc2cc(F)c(F)cc21)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HSKZBHODWBEDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c17-11-5-9-3-4-13(10(9)6-12(11)18)19-16(21)15-7-14(20-22-15)8-1-2-8/h5-6,8,13,15H,1-4,7H2,(H,19,21).
What are the key properties of 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155959657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).