ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate

C21H19F2N3O5 — CID 56726055

IUPACethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)C(NC(=O)c1ccc(OC)cc1)c1nnc(C(F)(F)c2ccccc2)o1
InChIInChI=1S/C21H19F2N3O5/c1-3-30-19(28)16(24-17(27)13-9-11-15(29-2)12-10-13)18-25-26-20(31-18)21(22,23)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3,(H,24,27)
InChIKeyWHECIBAAOXFKNW-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.25
Rot. Bonds8

About ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate

ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 56726055) has the molecular formula C21H19F2N3O5 and a molecular weight of 431.40 g/mol. Its IUPAC name is ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
PubChem CID56726055
Molecular FormulaC21H19F2N3O5
Molecular Weight431.40 g/mol
Exact Mass431.13
IUPAC Nameethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)C(NC(=O)c1ccc(OC)cc1)c1nnc(C(F)(F)c2ccccc2)o1
InChIInChI=1S/C21H19F2N3O5/c1-3-30-19(28)16(24-17(27)13-9-11-15(29-2)12-10-13)18-25-26-20(31-18)21(22,23)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3,(H,24,27)
InChIKeyWHECIBAAOXFKNW-UHFFFAOYSA-N
XLogP3.25
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

ethyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 51699903
methyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 56726050
methyl (2R)-2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate
CID 51699894
ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725807
methyl (2S)-2-[(4-methylbenzoyl)amino]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 39868650
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
methyl 2-benzamido-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725802
ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
CID 135314125
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
CID 134847437
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate
CID 15259432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate (CID 56726055) is ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate is CCOC(=O)C(NC(=O)c1ccc(OC)cc1)c1nnc(C(F)(F)c2ccccc2)o1.
What is the InChIKey of ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is WHECIBAAOXFKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O5/c1-3-30-19(28)16(24-17(27)13-9-11-15(29-2)12-10-13)18-25-26-20(31-18)21(22,23)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3,(H,24,27).
What are the key properties of ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate?
ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 431.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[difluoro(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 56726055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).