5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole

C11H14F2N2O — CID 163350927

IUPAC5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESFC1(F)CCN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-4-15(7-11)6-9-5-10(16-14-9)8-1-2-8/h5,8H,1-4,6-7H2
InChIKeyWJXJXKDSBZIAHM-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.39
Rot. Bonds3

About 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole

5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole (PubChem CID 163350927) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
PubChem CID163350927
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESFC1(F)CCN(Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-4-15(7-11)6-9-5-10(16-14-9)8-1-2-8/h5,8H,1-4,6-7H2
InChIKeyWJXJXKDSBZIAHM-UHFFFAOYSA-N
XLogP2.39
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole (CID 163350927) is 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole is FC1(F)CCN(Cc2cc(C3CC3)on2)C1.
What is the InChIKey of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is WJXJXKDSBZIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)3-4-15(7-11)6-9-5-10(16-14-9)8-1-2-8/h5,8H,1-4,6-7H2.
What are the key properties of 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 228.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 163350927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).