[(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

C15H26F2N2O2 — CID 91155497

IUPAC[(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCC(C)(C)N1[C@H](C(=O)N2CCC(F)(F)CC2)COC1(C)C
InChIInChI=1S/C15H26F2N2O2/c1-13(2,3)19-11(10-21-14(19,4)5)12(20)18-8-6-15(16,17)7-9-18/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyDVMIHWIIUHKNNM-NSHDSACASA-N
MW304.38 g/mol
LogP2.48
Rot. Bonds1

About [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

[(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 91155497) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID91155497
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name[(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCC(C)(C)N1[C@H](C(=O)N2CCC(F)(F)CC2)COC1(C)C
InChIInChI=1S/C15H26F2N2O2/c1-13(2,3)19-11(10-21-14(19,4)5)12(20)18-8-6-15(16,17)7-9-18/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyDVMIHWIIUHKNNM-NSHDSACASA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 91155497) is [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is CC(C)(C)N1[C@H](C(=O)N2CCC(F)(F)CC2)COC1(C)C.
What is the InChIKey of [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is DVMIHWIIUHKNNM-NSHDSACASA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-13(2,3)19-11(10-21-14(19,4)5)12(20)18-8-6-15(16,17)7-9-18/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 304.38 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3-tert-butyl-2,2-dimethyl-1,3-oxazolidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 91155497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).