4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione

C26H28N2O6 — CID 22622692

IUPAC4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
SMILESCOc1cc(CCCCCC2NC(=O)OC2=O)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C26H28N2O6/c1-17-21(27-24(33-17)19-10-6-4-7-11-19)16-32-22-14-13-18(15-23(22)31-2)9-5-3-8-12-20-25(29)34-26(30)28-20/h4,6-7,10-11,13-15,20H,3,5,8-9,12,16H2,1-2H3,(H,28,30)
InChIKeyHXBBCVPUYDVHTA-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.98
Rot. Bonds11

About 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione

4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione (PubChem CID 22622692) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
PubChem CID22622692
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
SMILESCOc1cc(CCCCCC2NC(=O)OC2=O)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C26H28N2O6/c1-17-21(27-24(33-17)19-10-6-4-7-11-19)16-32-22-14-13-18(15-23(22)31-2)9-5-3-8-12-20-25(29)34-26(30)28-20/h4,6-7,10-11,13-15,20H,3,5,8-9,12,16H2,1-2H3,(H,28,30)
InChIKeyHXBBCVPUYDVHTA-UHFFFAOYSA-N
XLogP4.98
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[6-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexyl]-1,3-oxazolidine-2,5-dione
CID 21224448
4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione
CID 21224441
4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
CID 18546152
4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 21224406
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
5-[2-[4-methoxy-3-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
CID 139722417
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol
CID 67598182
4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione
CID 18982981
2-[[4-methoxy-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-2-phenylacetic acid
CID 91372333
3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-methylpyrazole-4-carboxamide
CID 69217464
2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 18003547
2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]acetic acid
CID 69431218

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione (CID 22622692) is 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione is COc1cc(CCCCCC2NC(=O)OC2=O)ccc1OCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is HXBBCVPUYDVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-17-21(27-24(33-17)19-10-6-4-7-11-19)16-32-22-14-13-18(15-23(22)31-2)9-5-3-8-12-20-25(29)34-26(30)28-20/h4,6-7,10-11,13-15,20H,3,5,8-9,12,16H2,1-2H3,(H,28,30).
What are the key properties of 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?
4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 464.52 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 22622692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).