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

C14H15FN2O4S — CID 862310

IUPACpropan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C14H15FN2O4S/c1-9(2)20-13(18)8-22-14-17-16-12(21-14)7-19-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyQXVHVRLVNPOPBA-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.83
Rot. Bonds7

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

propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 862310) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID862310
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Namepropan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1nnc(COc2ccc(F)cc2)o1
InChIInChI=1S/C14H15FN2O4S/c1-9(2)20-13(18)8-22-14-17-16-12(21-14)7-19-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyQXVHVRLVNPOPBA-UHFFFAOYSA-N
XLogP2.83
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid isopropyl ester
CID 862340
4-({[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)morpholine
CID 866876
Cyclohexyl 2-({5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
CID 646743
(5-m-Tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid cyclohexyl ester
CID 648403
[5-(4-Chloro-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid cyclohexyl ester
CID 654617
4-{2-[5-(4-Fluoro-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethyl}-morpholine
CID 862318
Ethyl 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 864815
Ethyl 4-(2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetyl)piperazine-1-carboxylate
CID 5214997
Methyl 2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 862327
2-({5-[(3-Methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetic acid
CID 862354
2-[[5-[(4-Ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 864822
2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 1155281

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 862310) is propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is CC(C)OC(=O)CSc1nnc(COc2ccc(F)cc2)o1.
What is the InChIKey of propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is QXVHVRLVNPOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-9(2)20-13(18)8-22-14-17-16-12(21-14)7-19-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 326.35 g/mol, XLogP of 2.83, 7 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-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 862310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).