1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

C18H18N2O5 — CID 68913573

IUPAC1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1OCC1CNC(=O)O1.c1ccc2oncc2c1
InChIInChI=1S/C11H13NO4.C7H5NO/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-2-4-7-6(3-1)5-8-9-7/h2-5,8H,6-7H2,1H3,(H,12,13);1-5H
InChIKeyZEICXOVGMKHXIB-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.01
Rot. Bonds4

About 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 68913573) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID68913573
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1OCC1CNC(=O)O1.c1ccc2oncc2c1
InChIInChI=1S/C11H13NO4.C7H5NO/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-2-4-7-6(3-1)5-8-9-7/h2-5,8H,6-7H2,1H3,(H,12,13);1-5H
InChIKeyZEICXOVGMKHXIB-UHFFFAOYSA-N
XLogP3.01
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 66849130
CID 66849130
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 87722700
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
CID 66663546
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 134123269
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 71241898
5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 43388559
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (CID 68913573) is 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is COc1ccccc1OCC1CNC(=O)O1.c1ccc2oncc2c1.
What is the InChIKey of 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZEICXOVGMKHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.C7H5NO/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8;1-2-4-7-6(3-1)5-8-9-7/h2-5,8H,6-7H2,1H3,(H,12,13);1-5H.
What are the key properties of 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).