(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate

C17H16N4O5S — CID 24819695

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
SMILESCc1cc(NC(=O)CSCC(=O)OCc2nnc(-c3ccccc3)o2)no1
InChIInChI=1S/C17H16N4O5S/c1-11-7-13(21-26-11)18-14(22)9-27-10-16(23)24-8-15-19-20-17(25-15)12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,18,21,22)
InChIKeyQTQSTLJIKPIBNK-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.45
Rot. Bonds8

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate (PubChem CID 24819695) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
PubChem CID24819695
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
SMILESCc1cc(NC(=O)CSCC(=O)OCc2nnc(-c3ccccc3)o2)no1
InChIInChI=1S/C17H16N4O5S/c1-11-7-13(21-26-11)18-14(22)9-27-10-16(23)24-8-15-19-20-17(25-15)12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,18,21,22)
InChIKeyQTQSTLJIKPIBNK-UHFFFAOYSA-N
XLogP2.45
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2155717
2-((5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 2155796
N-(5-methyl-1,2-oxazol-3-yl)-2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2219311
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7562431
2-((5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 2155747
[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2529250
Ethyl 2-[[2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]oxyacetyl]amino]benzoate
CID 24979974
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 974449
2-((5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 1096325
2-((5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 1259960
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2087808
N-[[(5-Methyl-3-isoxazolyl)amino]carbonyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 9966566

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate (CID 24819695) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate is Cc1cc(NC(=O)CSCC(=O)OCc2nnc(-c3ccccc3)o2)no1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
The InChIKey is QTQSTLJIKPIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-11-7-13(21-26-11)18-14(22)9-27-10-16(23)24-8-15-19-20-17(25-15)12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,18,21,22).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate has a molecular weight of 388.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 24819695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).