propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C14H16N2O4S — CID 673462

IUPACpropan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOc1ccccc1-c1nnc(SCC(=O)OC(C)C)o1
InChIInChI=1S/C14H16N2O4S/c1-9(2)19-12(17)8-21-14-16-15-13(20-14)10-6-4-5-7-11(10)18-3/h4-7,9H,8H2,1-3H3
InChIKeyJPVHWAGAKDIJQI-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.79
Rot. Bonds6

About propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 673462) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID673462
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namepropan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOc1ccccc1-c1nnc(SCC(=O)OC(C)C)o1
InChIInChI=1S/C14H16N2O4S/c1-9(2)19-12(17)8-21-14-16-15-13(20-14)10-6-4-5-7-11(10)18-3/h4-7,9H,8H2,1-3H3
InChIKeyJPVHWAGAKDIJQI-UHFFFAOYSA-N
XLogP2.79
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74643
Methyl 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl ether
CID 828055
2-(Benzylsulfanyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 811665
3-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid
CID 6472748
2-Methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44142083
4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44460136
2-(4-Fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 834024
(5-Phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester
CID 697198
2-(2-Methoxyphenyl)-1,3,4-oxadiazole
CID 17608697
Ethyl 2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 649734
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 651410
2-{[5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-phenylethanone
CID 807935

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 673462) is propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is COc1ccccc1-c1nnc(SCC(=O)OC(C)C)o1.
What is the InChIKey of propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is JPVHWAGAKDIJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9(2)19-12(17)8-21-14-16-15-13(20-14)10-6-4-5-7-11(10)18-3/h4-7,9H,8H2,1-3H3.
What are the key properties of propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 308.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 673462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).