3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one

C12H11NO3 — CID 102450789

IUPAC3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(C#CN2CCOC2=O)c1
InChIInChI=1S/C12H11NO3/c1-15-11-4-2-3-10(9-11)5-6-13-7-8-16-12(13)14/h2-4,9H,7-8H2,1H3
InChIKeyGOQIUDKLSZJURC-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.46
Rot. Bonds1

About 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one

3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one (PubChem CID 102450789) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one
PubChem CID102450789
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(C#CN2CCOC2=O)c1
InChIInChI=1S/C12H11NO3/c1-15-11-4-2-3-10(9-11)5-6-13-7-8-16-12(13)14/h2-4,9H,7-8H2,1H3
InChIKeyGOQIUDKLSZJURC-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 102522223
3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one
CID 134965190
2,7-bis[2-(3-methoxyphenyl)ethynyl]naphthalene
CID 171920371
4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
CID 102582925
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
1-ethynyl-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 25117715
3-[3-(2-oxo-1,3-oxazolidin-3-yl)propoxy]benzonitrile
CID 43289222
1-(4-bromobut-1-ynyl)-3-methoxybenzene
CID 170465696
3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75365696
2-[5-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-pyridinyl]-5-[2-(3-methoxyphenyl)ethynyl]pyridine
CID 171920339
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
3-methoxybenzonitrile;thiadiaziridine 1,1-dioxide
CID 174965315

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one (CID 102450789) is 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one is COc1cccc(C#CN2CCOC2=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one?
The InChIKey is GOQIUDKLSZJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-11-4-2-3-10(9-11)5-6-13-7-8-16-12(13)14/h2-4,9H,7-8H2,1H3.
What are the key properties of 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one?
3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102450789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).