(4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

C14H20FNO2 — CID 166755322

IUPAC(4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)O[C@H](C2(C)C=CC(F)=CC2)[C@H]1C
InChIInChI=1S/C14H20FNO2/c1-9(2)16-10(3)12(18-13(16)17)14(4)7-5-11(15)6-8-14/h5-7,9-10,12H,8H2,1-4H3/t10-,12+,14?/m1/s1
InChIKeyMWONMOXAOFHBAL-RBOJZIDYSA-N
MW253.32 g/mol
LogP3.42
Rot. Bonds2

About (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one

(4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 166755322) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID166755322
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)O[C@H](C2(C)C=CC(F)=CC2)[C@H]1C
InChIInChI=1S/C14H20FNO2/c1-9(2)16-10(3)12(18-13(16)17)14(4)7-5-11(15)6-8-14/h5-7,9-10,12H,8H2,1-4H3/t10-,12+,14?/m1/s1
InChIKeyMWONMOXAOFHBAL-RBOJZIDYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one (CID 166755322) is (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C(=O)O[C@H](C2(C)C=CC(F)=CC2)[C@H]1C.
What is the InChIKey of (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MWONMOXAOFHBAL-RBOJZIDYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)16-10(3)12(18-13(16)17)14(4)7-5-11(15)6-8-14/h5-7,9-10,12H,8H2,1-4H3/t10-,12+,14?/m1/s1.
What are the key properties of (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one?
(4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 253.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 166755322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).