3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one

C24H30N2O9 — CID 159140278

IUPAC3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one
SMILESCOCOc1c(C)cc(N2CCOC2=O)cc1OC.COc1cc(N2CCOC2=O)cc(C)c1O
InChIInChI=1S/C13H17NO5.C11H13NO4/c1-9-6-10(14-4-5-18-13(14)15)7-11(17-3)12(9)19-8-16-2;1-7-5-8(6-9(15-2)10(7)13)12-3-4-16-11(12)14/h6-7H,4-5,8H2,1-3H3;5-6,13H,3-4H2,1-2H3
InChIKeyKHZXLXWGPONPRJ-UHFFFAOYSA-N
MW490.51 g/mol
LogP3.61
Rot. Bonds7

About 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one

3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 159140278) has the molecular formula C24H30N2O9 and a molecular weight of 490.51 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID159140278
Molecular FormulaC24H30N2O9
Molecular Weight490.51 g/mol
Exact Mass490.20
IUPAC Name3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one
SMILESCOCOc1c(C)cc(N2CCOC2=O)cc1OC.COc1cc(N2CCOC2=O)cc(C)c1O
InChIInChI=1S/C13H17NO5.C11H13NO4/c1-9-6-10(14-4-5-18-13(14)15)7-11(17-3)12(9)19-8-16-2;1-7-5-8(6-9(15-2)10(7)13)12-3-4-16-11(12)14/h6-7H,4-5,8H2,1-3H3;5-6,13H,3-4H2,1-2H3
InChIKeyKHZXLXWGPONPRJ-UHFFFAOYSA-N
XLogP3.61
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate
CID 155671088
3-[4-methoxy-2,3-dimethyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 86084940
2-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde
CID 57499618
3-[3-methoxy-4-(prop-2-ynylamino)phenyl]-1,3-oxazolidin-2-one
CID 171616357
3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one
CID 53358935
3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 129407104
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 139686883
3-[2-(2-fluoro-3,4-dihydroxy-5-methoxyphenyl)-1-(3-methyloxetan-3-yl)benzimidazol-5-yl]-1,3-oxazolidin-2-one
CID 168854482
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 66833737

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one (CID 159140278) is 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one is COCOc1c(C)cc(N2CCOC2=O)cc1OC.COc1cc(N2CCOC2=O)cc(C)c1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is KHZXLXWGPONPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5.C11H13NO4/c1-9-6-10(14-4-5-18-13(14)15)7-11(17-3)12(9)19-8-16-2;1-7-5-8(6-9(15-2)10(7)13)12-3-4-16-11(12)14/h6-7H,4-5,8H2,1-3H3;5-6,13H,3-4H2,1-2H3.
What are the key properties of 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one?
3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 490.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159140278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).