(4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one

C15H26F2N2O2 — CID 54534663

IUPAC(4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C[C@@]1(CC2CCCCC2)COC(=O)N1)C(N)C(F)F
InChIInChI=1S/C15H26F2N2O2/c1-10(12(18)13(16)17)7-15(9-21-14(20)19-15)8-11-5-3-2-4-6-11/h10-13H,2-9,18H2,1H3,(H,19,20)/t10?,12?,15-/m1/s1
InChIKeyYYYBCNFIJLEQNC-MBRGGSNBSA-N
MW304.38 g/mol
LogP3.05
Rot. Bonds6

About (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one

(4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one (PubChem CID 54534663) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one
PubChem CID54534663
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name(4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C[C@@]1(CC2CCCCC2)COC(=O)N1)C(N)C(F)F
InChIInChI=1S/C15H26F2N2O2/c1-10(12(18)13(16)17)7-15(9-21-14(20)19-15)8-11-5-3-2-4-6-11/h10-13H,2-9,18H2,1H3,(H,19,20)/t10?,12?,15-/m1/s1
InChIKeyYYYBCNFIJLEQNC-MBRGGSNBSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one (CID 54534663) is (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one is CC(C[C@@]1(CC2CCCCC2)COC(=O)N1)C(N)C(F)F.
What is the InChIKey of (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YYYBCNFIJLEQNC-MBRGGSNBSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-10(12(18)13(16)17)7-15(9-21-14(20)19-15)8-11-5-3-2-4-6-11/h10-13H,2-9,18H2,1H3,(H,19,20)/t10?,12?,15-/m1/s1.
What are the key properties of (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one?
(4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 304.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54534663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).