2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

C11H16N2O3S — CID 62590738

IUPAC2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(C2CCCCCC2)o1
InChIInChI=1S/C11H16N2O3S/c14-9(15)7-17-11-13-12-10(16-11)8-5-3-1-2-4-6-8/h8H,1-7H2,(H,14,15)
InChIKeyJGEUTWGKZHXCTN-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.68
Rot. Bonds4

About 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (PubChem CID 62590738) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
PubChem CID62590738
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(C2CCCCCC2)o1
InChIInChI=1S/C11H16N2O3S/c14-9(15)7-17-11-13-12-10(16-11)8-5-3-1-2-4-6-8/h8H,1-7H2,(H,14,15)
InChIKeyJGEUTWGKZHXCTN-UHFFFAOYSA-N
XLogP2.68
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43148598
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CID 23006669
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
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2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 7957401
N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
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N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide
CID 9487650
1-(3-chloro-4-methoxyphenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 8506030
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 51322495
N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7957420
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 3458981
(3S)-N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7957374

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (CID 62590738) is 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is O=C(O)CSc1nnc(C2CCCCCC2)o1.
What is the InChIKey of 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is JGEUTWGKZHXCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-9(15)7-17-11-13-12-10(16-11)8-5-3-1-2-4-6-8/h8H,1-7H2,(H,14,15).
What are the key properties of 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 256.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 62590738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).