(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate

C17H12F2N2O4S — CID 35428552

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(F)cc1F)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H12F2N2O4S/c18-10-3-4-12(13(19)6-10)17(23)20-8-16(22)24-9-11-7-14(25-21-11)15-2-1-5-26-15/h1-7H,8-9H2,(H,20,23)
InChIKeyGDZHNNIKAHHRMK-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.15
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate (PubChem CID 35428552) has the molecular formula C17H12F2N2O4S and a molecular weight of 378.36 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate
PubChem CID35428552
Molecular FormulaC17H12F2N2O4S
Molecular Weight378.36 g/mol
Exact Mass378.05
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(F)cc1F)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H12F2N2O4S/c18-10-3-4-12(13(19)6-10)17(23)20-8-16(22)24-9-11-7-14(25-21-11)15-2-1-5-26-15/h1-7H,8-9H2,(H,20,23)
InChIKeyGDZHNNIKAHHRMK-UHFFFAOYSA-N
XLogP3.15
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 8743810
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
CID 16870177
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 8648962
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 37326452
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8651891
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-(carbamoylamino)hexanoate
CID 8973434
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxo-4-phenylbutanoate
CID 26530325
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
CID 8972367
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethylbenzoate
CID 8650258
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3,4-dichlorophenyl)acetate
CID 8649683

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate (CID 35428552) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(F)cc1F)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate?
The InChIKey is GDZHNNIKAHHRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O4S/c18-10-3-4-12(13(19)6-10)17(23)20-8-16(22)24-9-11-7-14(25-21-11)15-2-1-5-26-15/h1-7H,8-9H2,(H,20,23).
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate has a molecular weight of 378.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate is sourced from PubChem (CID 35428552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).