2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine

C12H17NO3 — CID 82287095

IUPAC2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine
SMILESCOc1ccc(C2NCC(C)O2)cc1OC
InChIInChI=1S/C12H17NO3/c1-8-7-13-12(16-8)9-4-5-10(14-2)11(6-9)15-3/h4-6,8,12-13H,7H2,1-3H3
InChIKeyPJAMSZSCSCSHFX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.71
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine

2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine (PubChem CID 82287095) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine
PubChem CID82287095
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine
SMILESCOc1ccc(C2NCC(C)O2)cc1OC
InChIInChI=1S/C12H17NO3/c1-8-7-13-12(16-8)9-4-5-10(14-2)11(6-9)15-3/h4-6,8,12-13H,7H2,1-3H3
InChIKeyPJAMSZSCSCSHFX-UHFFFAOYSA-N
XLogP1.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine
CID 82282088
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
2-(3,4-dimethoxyphenyl)-1,3-diazinane
CID 86188802
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine (CID 82287095) is 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine is COc1ccc(C2NCC(C)O2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine?
The InChIKey is PJAMSZSCSCSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-7-13-12(16-8)9-4-5-10(14-2)11(6-9)15-3/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine?
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine has a molecular weight of 223.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine is sourced from PubChem (CID 82287095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).