3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one

C17H15NO4 — CID 139686883

IUPAC3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2ccc(N3CCOC3=O)cc2)ccc1=O
InChIInChI=1S/C17H15NO4/c1-21-16-9-5-13(4-8-15(16)19)12-2-6-14(7-3-12)18-10-11-22-17(18)20/h2-9H,10-11H2,1H3
InChIKeyUGTVGMACFRAKRD-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.68
Rot. Bonds3

About 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one

3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 139686883) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID139686883
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2ccc(N3CCOC3=O)cc2)ccc1=O
InChIInChI=1S/C17H15NO4/c1-21-16-9-5-13(4-8-15(16)19)12-2-6-14(7-3-12)18-10-11-22-17(18)20/h2-9H,10-11H2,1H3
InChIKeyUGTVGMACFRAKRD-UHFFFAOYSA-N
XLogP2.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one
CID 53358935
N-(2-methoxy-5-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372372
5-(azidomethyl)-3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 15813590
3-[3-methoxy-4-(prop-2-ynylamino)phenyl]-1,3-oxazolidin-2-one
CID 171616357
3-(3,4-dimethoxyphenyl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 110668709
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460277
3,4-dimethoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554101
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372328
3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295265
1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
CID 58694338
2-[5-(4-aminophenyl)-2-pyridinyl]-1-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine
CID 123421695

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 139686883) is 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one is COc1ccc(-c2ccc(N3CCOC3=O)cc2)ccc1=O.
What is the InChIKey of 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UGTVGMACFRAKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-16-9-5-13(4-8-15(16)19)12-2-6-14(7-3-12)18-10-11-22-17(18)20/h2-9H,10-11H2,1H3.
What are the key properties of 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one?
3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139686883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).