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

C14H16N2O3S — CID 61071712

IUPAC2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nnc(-c3ccsc3)o2)CCCC1
InChIInChI=1S/C14H16N2O3S/c17-12(18)8-14(4-1-2-5-14)7-11-15-16-13(19-11)10-3-6-20-9-10/h3,6,9H,1-2,4-5,7-8H2,(H,17,18)
InChIKeyFHYKQAWGSRBGCM-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.38
Rot. Bonds5

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

2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61071712) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
PubChem CID61071712
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nnc(-c3ccsc3)o2)CCCC1
InChIInChI=1S/C14H16N2O3S/c17-12(18)8-14(4-1-2-5-14)7-11-15-16-13(19-11)10-3-6-20-9-10/h3,6,9H,1-2,4-5,7-8H2,(H,17,18)
InChIKeyFHYKQAWGSRBGCM-UHFFFAOYSA-N
XLogP3.38
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071529
2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 61071152
N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38139231
2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
CID 29132376
2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 29065772
2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
CID 43513413
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100273
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 6623561
N-(4-piperidin-1-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536464
2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
CID 119213403
N-(3,4-dimethylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161999
2-[1-[[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 62716683

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid (CID 61071712) is 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nnc(-c3ccsc3)o2)CCCC1.
What is the InChIKey of 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is FHYKQAWGSRBGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-12(18)8-14(4-1-2-5-14)7-11-15-16-13(19-11)10-3-6-20-9-10/h3,6,9H,1-2,4-5,7-8H2,(H,17,18).
What are the key properties of 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).