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

C16H16F2N2O2 — CID 155960639

IUPAC3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1c2ccccc2CC1(F)F)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H16F2N2O2/c17-16(18)8-10-3-1-2-4-11(10)14(16)19-15(21)13-7-12(20-22-13)9-5-6-9/h1-4,9,13-14H,5-8H2,(H,19,21)
InChIKeyVJVNHVPJMYZUQB-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.59
Rot. Bonds3

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

3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155960639) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155960639
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1c2ccccc2CC1(F)F)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H16F2N2O2/c17-16(18)8-10-3-1-2-4-11(10)14(16)19-15(21)13-7-12(20-22-13)9-5-6-9/h1-4,9,13-14H,5-8H2,(H,19,21)
InChIKeyVJVNHVPJMYZUQB-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155960639) is 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1c2ccccc2CC1(F)F)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VJVNHVPJMYZUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c17-16(18)8-10-3-1-2-4-11(10)14(16)19-15(21)13-7-12(20-22-13)9-5-6-9/h1-4,9,13-14H,5-8H2,(H,19,21).
What are the key properties of 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,2-difluoro-1,3-dihydroinden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155960639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).