3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

C15H16N2O3S — CID 25030125

IUPAC3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cccc(-c2csc(N3C(=O)OCC3(C)C)n2)c1
InChIInChI=1S/C15H16N2O3S/c1-15(2)9-20-14(18)17(15)13-16-12(8-21-13)10-5-4-6-11(7-10)19-3/h4-8H,9H2,1-3H3
InChIKeyGHFTXMIGNKZFPT-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.55
Rot. Bonds3

About 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 25030125) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID25030125
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cccc(-c2csc(N3C(=O)OCC3(C)C)n2)c1
InChIInChI=1S/C15H16N2O3S/c1-15(2)9-20-14(18)17(15)13-16-12(8-21-13)10-5-4-6-11(7-10)19-3/h4-8H,9H2,1-3H3
InChIKeyGHFTXMIGNKZFPT-UHFFFAOYSA-N
XLogP3.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
CID 25030122
5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 168995154
3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115064566
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
N-(3-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447625
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 3223665
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-bromophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551439
(4R)-4-[(3-methoxyphenyl)diazenyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4H-pyrazol-3-one
CID 98119086
4-(3-methoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 162011689
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 25030125) is 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is COc1cccc(-c2csc(N3C(=O)OCC3(C)C)n2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is GHFTXMIGNKZFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2)9-20-14(18)17(15)13-16-12(8-21-13)10-5-4-6-11(7-10)19-3/h4-8H,9H2,1-3H3.
What are the key properties of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 304.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25030125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).