3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C22H23FN4O4S — CID 45254955

IUPAC3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC1OCCN1C(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O4S/c1-4-16-18(12(2)31-26-16)21(28)24-11-17-27(9-10-30-17)22(29)19-20(32-13(3)25-19)14-5-7-15(23)8-6-14/h5-8,17H,4,9-11H2,1-3H3,(H,24,28)
InChIKeyQRXYFGNQJMSVMG-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.34
Rot. Bonds6

About 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 45254955) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID45254955
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC Name3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC1OCCN1C(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O4S/c1-4-16-18(12(2)31-26-16)21(28)24-11-17-27(9-10-30-17)22(29)19-20(32-13(3)25-19)14-5-7-15(23)8-6-14/h5-8,17H,4,9-11H2,1-3H3,(H,24,28)
InChIKeyQRXYFGNQJMSVMG-UHFFFAOYSA-N
XLogP3.34
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 45254955) is 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCC1OCCN1C(=O)c1nc(C)sc1-c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QRXYFGNQJMSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c1-4-16-18(12(2)31-26-16)21(28)24-11-17-27(9-10-30-17)22(29)19-20(32-13(3)25-19)14-5-7-15(23)8-6-14/h5-8,17H,4,9-11H2,1-3H3,(H,24,28).
What are the key properties of 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 45254955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).