(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C19H17ClN2O3S — CID 43048760

IUPAC(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1noc(-c2ccsc2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H17ClN2O3S/c20-15-5-3-14(4-6-15)19(8-1-2-9-19)18(23)24-11-16-21-17(25-22-16)13-7-10-26-12-13/h3-7,10,12H,1-2,8-9,11H2
InChIKeyOHOQSPUVBCJPSZ-UHFFFAOYSA-N
MW388.88 g/mol
LogP5.01
Rot. Bonds5

About (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 43048760) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID43048760
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1noc(-c2ccsc2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H17ClN2O3S/c20-15-5-3-14(4-6-15)19(8-1-2-9-19)18(23)24-11-16-21-17(25-22-16)13-7-10-26-12-13/h3-7,10,12H,1-2,8-9,11H2
InChIKeyOHOQSPUVBCJPSZ-UHFFFAOYSA-N
XLogP5.01
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.88
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate
CID 24674847
(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55384481
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16870134
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451297
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55533819
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24675497
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 55551565
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 55536448

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 43048760) is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is O=C(OCc1noc(-c2ccsc2)n1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is OHOQSPUVBCJPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c20-15-5-3-14(4-6-15)19(8-1-2-9-19)18(23)24-11-16-21-17(25-22-16)13-7-10-26-12-13/h3-7,10,12H,1-2,8-9,11H2.
What are the key properties of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 388.88 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 43048760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).