tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate

C22H20F2N2O4 — CID 59029303

IUPACtert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1F)c1cccc(-c2cnco2)c1
InChIInChI=1S/C22H20F2N2O4/c1-22(2,3)30-19(27)12-26(21(28)20-16(23)8-5-9-17(20)24)15-7-4-6-14(10-15)18-11-25-13-29-18/h4-11,13H,12H2,1-3H3
InChIKeyYVMNPICSISGODF-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.61
Rot. Bonds5

About tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate

tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate (PubChem CID 59029303) has the molecular formula C22H20F2N2O4 and a molecular weight of 414.41 g/mol. Its IUPAC name is tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate
PubChem CID59029303
Molecular FormulaC22H20F2N2O4
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC Nametert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1F)c1cccc(-c2cnco2)c1
InChIInChI=1S/C22H20F2N2O4/c1-22(2,3)30-19(27)12-26(21(28)20-16(23)8-5-9-17(20)24)15-7-4-6-14(10-15)18-11-25-13-29-18/h4-11,13H,12H2,1-3H3
InChIKeyYVMNPICSISGODF-UHFFFAOYSA-N
XLogP4.61
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-Oxazol-5-yl)aniline
CID 2739289
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
1-(5-(3-Aminophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110637
Methyl 6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate
CID 16110656
1-(5-(3-Nitrophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110698
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-oxazol-5-yl-phenyl)-urea
CID 44290029
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-oxazol-5-ylphenyl)ethane-1,2-dione
CID 45272998
N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
CID 139441299
tert-butyl (3R,4S)-4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]-3-fluoropiperidine-1-carboxylate
CID 73291736
4-[Cyclopropyl-(4-oxazol-5-yl-benzoyl)-amino]-piperidine-1-carboxylic acid 1-methyl-cyclopropyl ester
CID 73387916

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate?
The IUPAC name of tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate (CID 59029303) is tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate.
What is the SMILES notation for tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate?
The canonical SMILES for tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate is CC(C)(C)OC(=O)CN(C(=O)c1c(F)cccc1F)c1cccc(-c2cnco2)c1.
What is the InChIKey of tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate?
The InChIKey is YVMNPICSISGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4/c1-22(2,3)30-19(27)12-26(21(28)20-16(23)8-5-9-17(20)24)15-7-4-6-14(10-15)18-11-25-13-29-18/h4-11,13H,12H2,1-3H3.
What are the key properties of tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate?
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate has a molecular weight of 414.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(1,3-oxazol-5-yl)anilino]acetate is sourced from PubChem (CID 59029303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).