[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C12H16F2N2O3 — CID 154775772

IUPAC[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(O)(C(F)F)C2)no1
InChIInChI=1S/C12H16F2N2O3/c1-7(2)9-5-8(15-19-9)10(17)16-4-3-12(18,6-16)11(13)14/h5,7,11,18H,3-4,6H2,1-2H3
InChIKeyDNFZBXHWFPZWOE-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.64
Rot. Bonds3

About [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 154775772) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID154775772
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(O)(C(F)F)C2)no1
InChIInChI=1S/C12H16F2N2O3/c1-7(2)9-5-8(15-19-9)10(17)16-4-3-12(18,6-16)11(13)14/h5,7,11,18H,3-4,6H2,1-2H3
InChIKeyDNFZBXHWFPZWOE-UHFFFAOYSA-N
XLogP1.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 154775772) is [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(O)(C(F)F)C2)no1.
What is the InChIKey of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is DNFZBXHWFPZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-7(2)9-5-8(15-19-9)10(17)16-4-3-12(18,6-16)11(13)14/h5,7,11,18H,3-4,6H2,1-2H3.
What are the key properties of [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 274.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 154775772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).