[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

C20H14ClN3O5 — CID 8835792

IUPAC[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H14ClN3O5/c21-15-8-6-13(7-9-15)16-10-22-17(28-16)12-27-18(25)11-24-20(26)29-19(23-24)14-4-2-1-3-5-14/h1-10H,11-12H2
InChIKeyNTBDCIYKZWIOEU-UHFFFAOYSA-N
MW411.80 g/mol
LogP3.56
Rot. Bonds6

About [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 8835792) has the molecular formula C20H14ClN3O5 and a molecular weight of 411.80 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID8835792
Molecular FormulaC20H14ClN3O5
Molecular Weight411.80 g/mol
Exact Mass411.06
IUPAC Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H14ClN3O5/c21-15-8-6-13(7-9-15)16-10-22-17(28-16)12-27-18(25)11-24-20(26)29-19(23-24)14-4-2-1-3-5-14/h1-10H,11-12H2
InChIKeyNTBDCIYKZWIOEU-UHFFFAOYSA-N
XLogP3.56
TPSA100.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate with MolForge

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Related Compounds

(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 26968408
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792309
[2-(dimethylamino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835595
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46665438
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835589
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632879
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951211
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 22830958
(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 46825859
[2-(azocan-1-yl)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632865

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 8835792) is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is NTBDCIYKZWIOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O5/c21-15-8-6-13(7-9-15)16-10-22-17(28-16)12-27-18(25)11-24-20(26)29-19(23-24)14-4-2-1-3-5-14/h1-10H,11-12H2.
What are the key properties of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 411.80 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 8835792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).