(5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

C16H23NO5 — CID 18646251

IUPAC(5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCCCC(C)O)cc2)C(=O)O1
InChIInChI=1S/C16H23NO5/c1-12(18)4-3-9-21-14-7-5-13(6-8-14)17-10-15(11-20-2)22-16(17)19/h5-8,12,15,18H,3-4,9-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyCXRXVUQDTWNWIV-WPZCJLIBSA-N
MW309.36 g/mol
LogP2.20
Rot. Bonds8

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

(5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 18646251) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID18646251
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCCCC(C)O)cc2)C(=O)O1
InChIInChI=1S/C16H23NO5/c1-12(18)4-3-9-21-14-7-5-13(6-8-14)17-10-15(11-20-2)22-16(17)19/h5-8,12,15,18H,3-4,9-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyCXRXVUQDTWNWIV-WPZCJLIBSA-N
XLogP2.20
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Befloxatone
CID 60824
(R/R)Befloxatone
CID 18646248
5-(Hydroxymethyl)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 162535
3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
CID 46887320
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
3-{4-[3(R)-hydroxybutoxy]phenyl}-(R)-5-methoxymethyloxazolidin-2-one
CID 18646233
(5R)-3-[4-[(3R)-3-methoxybutoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 18646235
5-((4-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887367
3-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]-1,3-benzoxazol-2-one
CID 71713803
5-(Phenoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 136950
3-[3-(4-Methoxy-phenoxy)-propyl]-3H-benzooxazol-2-one
CID 3153323
(5R)-5-(methoxymethyl)-3-[4-(3-methylbut-3-enoxy)phenyl]-1,3-oxazolidin-2-one
CID 44280517

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 18646251) is (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(OCCCC(C)O)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is CXRXVUQDTWNWIV-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H23NO5/c1-12(18)4-3-9-21-14-7-5-13(6-8-14)17-10-15(11-20-2)22-16(17)19/h5-8,12,15,18H,3-4,9-11H2,1-2H3/t12?,15-/m1/s1.
What are the key properties of (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 309.36 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).