5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione

C23H22N2O4S — CID 23450158

IUPAC5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione
SMILESCc1sc(-c2ccccc2)nc1COc1ccc(CCCC2OC(=O)NC2=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-15-19(24-22(30-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)29-20/h2-4,7-8,10-13,20H,5-6,9,14H2,1H3,(H,25,26,27)
InChIKeyBMJSQIFEHACDIX-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.66
Rot. Bonds8

About 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione

5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione (PubChem CID 23450158) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione
PubChem CID23450158
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione
SMILESCc1sc(-c2ccccc2)nc1COc1ccc(CCCC2OC(=O)NC2=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-15-19(24-22(30-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)29-20/h2-4,7-8,10-13,20H,5-6,9,14H2,1H3,(H,25,26,27)
InChIKeyBMJSQIFEHACDIX-UHFFFAOYSA-N
XLogP4.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

CID 7216480
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CID 24819887
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CID 2979355
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CID 14301813
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CID 13713894
CID 13713894
CID 13713906
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CID 14913668
CID 14913668
CID 14913676
CID 14913676
CID 7518081
CID 7518081
CID 71795347
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CID 7518110
CID 7518110
CID 7518218
CID 7518218

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione (CID 23450158) is 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione is Cc1sc(-c2ccccc2)nc1COc1ccc(CCCC2OC(=O)NC2=O)cc1.
What is the InChIKey of 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is BMJSQIFEHACDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-15-19(24-22(30-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)29-20/h2-4,7-8,10-13,20H,5-6,9,14H2,1H3,(H,25,26,27).
What are the key properties of 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione?
5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 422.51 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 23450158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).