(4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one

C15H25F2NO3 — CID 70403235

IUPAC(4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
SMILESCC(C)OCC(F)(F)[C@@H]1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C15H25F2NO3/c1-10(2)20-9-15(16,17)13-12(18-14(19)21-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyYCOMQGQLKTTWOY-QWHCGFSZSA-N
MW305.37 g/mol
LogP3.49
Rot. Bonds6

About (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one

(4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one (PubChem CID 70403235) has the molecular formula C15H25F2NO3 and a molecular weight of 305.37 g/mol. Its IUPAC name is (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
PubChem CID70403235
Molecular FormulaC15H25F2NO3
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name(4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
SMILESCC(C)OCC(F)(F)[C@@H]1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C15H25F2NO3/c1-10(2)20-9-15(16,17)13-12(18-14(19)21-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyYCOMQGQLKTTWOY-QWHCGFSZSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.49
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-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one (CID 70403235) is (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one is CC(C)OCC(F)(F)[C@@H]1OC(=O)N[C@H]1CC1CCCCC1.
What is the InChIKey of (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is YCOMQGQLKTTWOY-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25F2NO3/c1-10(2)20-9-15(16,17)13-12(18-14(19)21-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
(4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 305.37 g/mol, XLogP of 3.49, 6 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-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70403235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).