3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one

C16H18N2O3S — CID 47061882

IUPAC3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2nc(CCN3CCOC3=O)sc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-15(12-3-5-13(20-2)6-4-12)17-14(22-11)7-8-18-9-10-21-16(18)19/h3-6H,7-10H2,1-2H3
InChIKeyGQPCLNVQRJLMMT-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.12
Rot. Bonds5

About 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 47061882) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID47061882
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2nc(CCN3CCOC3=O)sc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-15(12-3-5-13(20-2)6-4-12)17-14(22-11)7-8-18-9-10-21-16(18)19/h3-6H,7-10H2,1-2H3
InChIKeyGQPCLNVQRJLMMT-UHFFFAOYSA-N
XLogP3.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one (CID 47061882) is 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one is COc1ccc(-c2nc(CCN3CCOC3=O)sc2C)cc1.
What is the InChIKey of 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is GQPCLNVQRJLMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-15(12-3-5-13(20-2)6-4-12)17-14(22-11)7-8-18-9-10-21-16(18)19/h3-6H,7-10H2,1-2H3.
What are the key properties of 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 318.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 47061882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).