1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid

C15H15N3O3 — CID 63750375

IUPAC1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
SMILESCCCc1noc(Cn2ccc3cc(C(=O)O)ccc32)n1
InChIInChI=1S/C15H15N3O3/c1-2-3-13-16-14(21-17-13)9-18-7-6-10-8-11(15(19)20)4-5-12(10)18/h4-8H,2-3,9H2,1H3,(H,19,20)
InChIKeyFHWGXTHLENLWPD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.72
Rot. Bonds5

About 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid (PubChem CID 63750375) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
PubChem CID63750375
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
SMILESCCCc1noc(Cn2ccc3cc(C(=O)O)ccc32)n1
InChIInChI=1S/C15H15N3O3/c1-2-3-13-16-14(21-17-13)9-18-7-6-10-8-11(15(19)20)4-5-12(10)18/h4-8H,2-3,9H2,1H3,(H,19,20)
InChIKeyFHWGXTHLENLWPD-UHFFFAOYSA-N
XLogP2.72
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic 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

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63749652
3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116622908
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
5-[(6-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 116621104
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915694
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
CID 75375177
1-[(3-propan-2-ylimidazol-4-yl)methyl]indole-5-carboxylic acid
CID 66153645
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
The IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid (CID 63750375) is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid is CCCc1noc(Cn2ccc3cc(C(=O)O)ccc32)n1.
What is the InChIKey of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
The InChIKey is FHWGXTHLENLWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-3-13-16-14(21-17-13)9-18-7-6-10-8-11(15(19)20)4-5-12(10)18/h4-8H,2-3,9H2,1H3,(H,19,20).
What are the key properties of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid is sourced from PubChem (CID 63750375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).