2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one

C11H11NO4 — CID 140703898

IUPAC2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one
SMILESCOCOc1ccc(C2=NCC(=O)O2)cc1
InChIInChI=1S/C11H11NO4/c1-14-7-15-9-4-2-8(3-5-9)11-12-6-10(13)16-11/h2-5H,6-7H2,1H3
InChIKeyVSRJMJNRHHGZCG-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.97
Rot. Bonds4

About 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one

2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one (PubChem CID 140703898) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one
PubChem CID140703898
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one
SMILESCOCOc1ccc(C2=NCC(=O)O2)cc1
InChIInChI=1S/C11H11NO4/c1-14-7-15-9-4-2-8(3-5-9)11-12-6-10(13)16-11/h2-5H,6-7H2,1H3
InChIKeyVSRJMJNRHHGZCG-UHFFFAOYSA-N
XLogP0.97
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one (CID 140703898) is 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one is COCOc1ccc(C2=NCC(=O)O2)cc1.
What is the InChIKey of 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one?
The InChIKey is VSRJMJNRHHGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-14-7-15-9-4-2-8(3-5-9)11-12-6-10(13)16-11/h2-5H,6-7H2,1H3.
What are the key properties of 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one?
2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one has a molecular weight of 221.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethoxy)phenyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 140703898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).