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

C18H14ClN3O4 — CID 9364281

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Cl)c1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H14ClN3O4/c19-14-8-4-7-13(9-14)17(24)20-10-16(23)25-11-15-21-22-18(26-15)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,24)
InChIKeyMSDGJKACUDIUDJ-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.86
Rot. Bonds6

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate (PubChem CID 9364281) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
PubChem CID9364281
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Cl)c1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H14ClN3O4/c19-14-8-4-7-13(9-14)17(24)20-10-16(23)25-11-15-21-22-18(26-15)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,24)
InChIKeyMSDGJKACUDIUDJ-UHFFFAOYSA-N
XLogP2.86
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7881882
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 7807928
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304005
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 166183592
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
CID 27707248
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
CID 16528018
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
CID 26178971

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate (CID 9364281) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(Cl)c1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
The InChIKey is MSDGJKACUDIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c19-14-8-4-7-13(9-14)17(24)20-10-16(23)25-11-15-21-22-18(26-15)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,24).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate has a molecular weight of 371.78 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 9364281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).