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

C14H13N3O3 — CID 63749652

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
SMILESCCc1noc(Cn2ccc3cc(C(=O)O)ccc32)n1
InChIInChI=1S/C14H13N3O3/c1-2-12-15-13(20-16-12)8-17-6-5-9-7-10(14(18)19)3-4-11(9)17/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyADPIHLFHMKMKJR-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.33
Rot. Bonds4

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

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid (PubChem CID 63749652) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
PubChem CID63749652
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
SMILESCCc1noc(Cn2ccc3cc(C(=O)O)ccc32)n1
InChIInChI=1S/C14H13N3O3/c1-2-12-15-13(20-16-12)8-17-6-5-9-7-10(14(18)19)3-4-11(9)17/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyADPIHLFHMKMKJR-UHFFFAOYSA-N
XLogP2.33
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63750375
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421775
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116622908
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
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829
1-(2-ethylsulfonylethyl)indole-5-carboxylic acid
CID 55230604
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
CID 116624283

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid (CID 63749652) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid is CCc1noc(Cn2ccc3cc(C(=O)O)ccc32)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
The InChIKey is ADPIHLFHMKMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-12-15-13(20-16-12)8-17-6-5-9-7-10(14(18)19)3-4-11(9)17/h3-7H,2,8H2,1H3,(H,18,19).
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid is sourced from PubChem (CID 63749652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).