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

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Related Compounds

2-[1-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071712
2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 61071152
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
2-[1-(pyridin-4-ylmethyl)cyclopropyl]acetic acid
CID 82403497
N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318804
1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
2-[1-[[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 62716683
2-[1-[(7-methyl-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
CID 79602585
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 6623561
2-[1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 61037452
1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 71897423
2-[1-[(7-chloro-1,3-benzoxazol-2-yl)methyl]cyclohexyl]acetic acid
CID 81422591

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).