(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one

C14H24F2N2O2 — CID 22847401

IUPAC(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one
SMILESCN(C)CC(F)(F)[C@@H]1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-18(2)9-14(15,16)12-11(17-13(19)20-12)8-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyVIDVFCBTSUPMNF-NWDGAFQWSA-N
MW290.35 g/mol
LogP2.63
Rot. Bonds5

About (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one

(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one (PubChem CID 22847401) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one
PubChem CID22847401
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one
SMILESCN(C)CC(F)(F)[C@@H]1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-18(2)9-14(15,16)12-11(17-13(19)20-12)8-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyVIDVFCBTSUPMNF-NWDGAFQWSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one (CID 22847401) is (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one is CN(C)CC(F)(F)[C@@H]1OC(=O)N[C@H]1CC1CCCCC1.
What is the InChIKey of (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one?
The InChIKey is VIDVFCBTSUPMNF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-18(2)9-14(15,16)12-11(17-13(19)20-12)8-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one?
(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one has a molecular weight of 290.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22847401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).