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

C15H17N3O3 — CID 61071529

IUPAC2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nnc(-c3ccncc3)o2)CCCC1
InChIInChI=1S/C15H17N3O3/c19-13(20)10-15(5-1-2-6-15)9-12-17-18-14(21-12)11-3-7-16-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyDPAUSAMUXJXVFX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.71
Rot. Bonds5

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

2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61071529) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
PubChem CID61071529
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nnc(-c3ccncc3)o2)CCCC1
InChIInChI=1S/C15H17N3O3/c19-13(20)10-15(5-1-2-6-15)9-12-17-18-14(21-12)11-3-7-16-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyDPAUSAMUXJXVFX-UHFFFAOYSA-N
XLogP2.71
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid (CID 61071529) is 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nnc(-c3ccncc3)o2)CCCC1.
What is the InChIKey of 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is DPAUSAMUXJXVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13(20)10-15(5-1-2-6-15)9-12-17-18-14(21-12)11-3-7-16-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,19,20).
What are the key properties of 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).