3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide

C11H14F2N2O2 — CID 154779756

IUPAC3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide
SMILESCC(C)c1oncc1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H14F2N2O2/c1-6(2)9-8(5-14-17-9)15-10(16)7-3-11(12,13)4-7/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyHORVQTMNLIXVRZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.78
Rot. Bonds3

About 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide

3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide (PubChem CID 154779756) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide
PubChem CID154779756
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide
SMILESCC(C)c1oncc1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H14F2N2O2/c1-6(2)9-8(5-14-17-9)15-10(16)7-3-11(12,13)4-7/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyHORVQTMNLIXVRZ-UHFFFAOYSA-N
XLogP2.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide (CID 154779756) is 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide is CC(C)c1oncc1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide?
The InChIKey is HORVQTMNLIXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(2)9-8(5-14-17-9)15-10(16)7-3-11(12,13)4-7/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide?
3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(5-propan-2-yl-1,2-oxazol-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 154779756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).