methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate

C18H15FN2O5S — CID 17254056

IUPACmethyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C18H15FN2O5S/c1-24-18(23)17-14(6-7-27-17)20-16(22)10-25-9-13-8-15(26-21-13)11-2-4-12(19)5-3-11/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyNSWMOKIBSXAYRC-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.48
Rot. Bonds7

About methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate (PubChem CID 17254056) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
PubChem CID17254056
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Namemethyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C18H15FN2O5S/c1-24-18(23)17-14(6-7-27-17)20-16(22)10-25-9-13-8-15(26-21-13)11-2-4-12(19)5-3-11/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyNSWMOKIBSXAYRC-UHFFFAOYSA-N
XLogP3.48
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate (CID 17254056) is methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)COCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is NSWMOKIBSXAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c1-24-18(23)17-14(6-7-27-17)20-16(22)10-25-9-13-8-15(26-21-13)11-2-4-12(19)5-3-11/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 390.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 17254056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).