2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid

C15H24N2O3S — CID 65137858

IUPAC2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESCC(C)CSCc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-21-10-12-16-13(20-17-12)7-15(8-14(18)19)5-3-4-6-15/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyXKSFJNRKQFWPKA-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.54
Rot. Bonds8

About 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid

2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (PubChem CID 65137858) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
PubChem CID65137858
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
SMILESCC(C)CSCc1noc(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-21-10-12-16-13(20-17-12)7-15(8-14(18)19)5-3-4-6-15/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyXKSFJNRKQFWPKA-UHFFFAOYSA-N
XLogP3.54
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
2-[1-[[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 79077575
[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65138108
2,3-dimethyl-2-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65138451
2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 103985919
2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 107925264
2-[1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116705047
5-(chloromethyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 65137998
2-[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116743957
1-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65138273
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid (CID 65137858) is 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is CC(C)CSCc1noc(CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is XKSFJNRKQFWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)9-21-10-12-16-13(20-17-12)7-15(8-14(18)19)5-3-4-6-15/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 312.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 65137858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).