[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

C19H15N3O4S — CID 7630545

IUPAC[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
SMILESC[C@H](OC(=O)CSc1nc2ccccc2o1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15N3O4S/c1-12(17-21-22-18(26-17)13-7-3-2-4-8-13)24-16(23)11-27-19-20-14-9-5-6-10-15(14)25-19/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyXHPJFRFGXZOXJK-LBPRGKRZSA-N
MW381.41 g/mol
LogP4.27
Rot. Bonds6

About [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate (PubChem CID 7630545) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
PubChem CID7630545
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
SMILESC[C@H](OC(=O)CSc1nc2ccccc2o1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15N3O4S/c1-12(17-21-22-18(26-17)13-7-3-2-4-8-13)24-16(23)11-27-19-20-14-9-5-6-10-15(14)25-19/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyXHPJFRFGXZOXJK-LBPRGKRZSA-N
XLogP4.27
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate with MolForge

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 8955052
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836104
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
CID 31012168
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 8600784
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835962
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
benzyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 690612
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836399
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836201
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-chlorophenyl)propanoate
CID 31012201
[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 16569913

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate?
The IUPAC name of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate (CID 7630545) is [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate.
What is the SMILES notation for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate?
The canonical SMILES for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate is C[C@H](OC(=O)CSc1nc2ccccc2o1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate?
The InChIKey is XHPJFRFGXZOXJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-12(17-21-22-18(26-17)13-7-3-2-4-8-13)24-16(23)11-27-19-20-14-9-5-6-10-15(14)25-19/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate?
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate has a molecular weight of 381.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 7630545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).