(5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C19H27NO3 — CID 44591684

IUPAC(5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t14-,15?/m1/s1
InChIKeyAZJQUEMFTHBOCO-GICMACPYSA-N
MW317.43 g/mol
LogP4.37
Rot. Bonds5

About (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591684) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591684
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t14-,15?/m1/s1
InChIKeyAZJQUEMFTHBOCO-GICMACPYSA-N
XLogP4.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591684) is (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1.
What is the InChIKey of (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is AZJQUEMFTHBOCO-GICMACPYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).