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

C24H29NO5 — CID 18646204

IUPAC(5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC3(Cc4ccccc4)OCCO3)cc2)C(=O)O1
InChIInChI=1S/C24H29NO5/c1-27-18-22-17-25(23(26)30-22)21-11-9-19(10-12-21)8-5-13-24(28-14-15-29-24)16-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3/t22-/m1/s1
InChIKeyQNEDXJRUUKKMGA-JOCHJYFZSA-N
MW411.50 g/mol
LogP3.97
Rot. Bonds9

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

(5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 18646204) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID18646204
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name(5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC3(Cc4ccccc4)OCCO3)cc2)C(=O)O1
InChIInChI=1S/C24H29NO5/c1-27-18-22-17-25(23(26)30-22)21-11-9-19(10-12-21)8-5-13-24(28-14-15-29-24)16-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3/t22-/m1/s1
InChIKeyQNEDXJRUUKKMGA-JOCHJYFZSA-N
XLogP3.97
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 18646204) is (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(CCCC3(Cc4ccccc4)OCCO3)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QNEDXJRUUKKMGA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29NO5/c1-27-18-22-17-25(23(26)30-22)21-11-9-19(10-12-21)8-5-13-24(28-14-15-29-24)16-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3/t22-/m1/s1.
What are the key properties of (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 411.50 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[3-(2-benzyl-1,3-dioxolan-2-yl)propyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).