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

C15H22N2O3S — CID 80620158

IUPAC2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(C3CCCS3)no2)CCCCC1
InChIInChI=1S/C15H22N2O3S/c18-13(19)10-15(6-2-1-3-7-15)9-12-16-14(17-20-12)11-5-4-8-21-11/h11H,1-10H2,(H,18,19)
InChIKeyHUAOSKFDNVQWDG-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.61
Rot. Bonds5

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

2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid (PubChem CID 80620158) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
PubChem CID80620158
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(C3CCCS3)no2)CCCCC1
InChIInChI=1S/C15H22N2O3S/c18-13(19)10-15(6-2-1-3-7-15)9-12-16-14(17-20-12)11-5-4-8-21-11/h11H,1-10H2,(H,18,19)
InChIKeyHUAOSKFDNVQWDG-UHFFFAOYSA-N
XLogP3.61
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 107925264
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
3,3-dimethyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 80620918
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080477
1-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 80639242
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
CID 59912914
2-[1-[[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 79077575
2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
2-[1-[[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 103985919
2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 65137858
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid (CID 80620158) is 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid is O=C(O)CC1(Cc2nc(C3CCCS3)no2)CCCCC1.
What is the InChIKey of 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
The InChIKey is HUAOSKFDNVQWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-13(19)10-15(6-2-1-3-7-15)9-12-16-14(17-20-12)11-5-4-8-21-11/h11H,1-10H2,(H,18,19).
What are the key properties of 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid?
2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 80620158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).