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

C15H19NO5 — CID 3061365

IUPAC5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(OCCC(C)=O)cc2)C(=O)O1
InChIInChI=1S/C15H19NO5/c1-11(17)7-8-20-13-5-3-12(4-6-13)16-9-14(10-19-2)21-15(16)18/h3-6,14H,7-10H2,1-2H3
InChIKeyCTYDNCVXZCANSR-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.02
Rot. Bonds7

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

5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one (PubChem CID 3061365) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
PubChem CID3061365
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(OCCC(C)=O)cc2)C(=O)O1
InChIInChI=1S/C15H19NO5/c1-11(17)7-8-20-13-5-3-12(4-6-13)16-9-14(10-19-2)21-15(16)18/h3-6,14H,7-10H2,1-2H3
InChIKeyCTYDNCVXZCANSR-UHFFFAOYSA-N
XLogP2.02
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one (CID 3061365) is 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one is COCC1CN(c2ccc(OCCC(C)=O)cc2)C(=O)O1.
What is the InChIKey of 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CTYDNCVXZCANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-11(17)7-8-20-13-5-3-12(4-6-13)16-9-14(10-19-2)21-15(16)18/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one?
5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 293.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3061365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).