(5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one

C18H25NO5 — CID 18646202

IUPAC(5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC3(C)OCCO3)cc2)C(=O)O1
InChIInChI=1S/C18H25NO5/c1-18(22-10-11-23-18)9-3-4-14-5-7-15(8-6-14)19-12-16(13-21-2)24-17(19)20/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m1/s1
InChIKeyPMBICBMIVQZHSD-MRXNPFEDSA-N
MW335.40 g/mol
LogP2.74
Rot. Bonds7

About (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 18646202) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID18646202
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name(5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC3(C)OCCO3)cc2)C(=O)O1
InChIInChI=1S/C18H25NO5/c1-18(22-10-11-23-18)9-3-4-14-5-7-15(8-6-14)19-12-16(13-21-2)24-17(19)20/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m1/s1
InChIKeyPMBICBMIVQZHSD-MRXNPFEDSA-N
XLogP2.74
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one (CID 18646202) is (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(CCCC3(C)OCCO3)cc2)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PMBICBMIVQZHSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO5/c1-18(22-10-11-23-18)9-3-4-14-5-7-15(8-6-14)19-12-16(13-21-2)24-17(19)20/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 335.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).