5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid

C8H12N2O3 — CID 60911040

IUPAC5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESCc1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-6-9-10-7(13-6)4-2-3-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyKIUSKEBRJRTLBS-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.18
Rot. Bonds5

About 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid

5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid (PubChem CID 60911040) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
PubChem CID60911040
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESCc1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-6-9-10-7(13-6)4-2-3-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyKIUSKEBRJRTLBS-UHFFFAOYSA-N
XLogP1.18
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

ethane;7-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-2-one
CID 167517152
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
5-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 114822230
5-[5-(3-methoxybutyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 113382224
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
CID 156686285
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 65207910
5-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 60911711
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912450
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The IUPAC name of 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid (CID 60911040) is 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid.
What is the SMILES notation for 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The canonical SMILES for 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid is Cc1nnc(CCCCC(=O)O)o1.
What is the InChIKey of 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The InChIKey is KIUSKEBRJRTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-9-10-7(13-6)4-2-3-5-8(11)12/h2-5H2,1H3,(H,11,12).
What are the key properties of 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid is sourced from PubChem (CID 60911040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).