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

C14H13N3O3 — CID 28783031

IUPAC2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
SMILESCc1nnc(Cn2cc(CC(=O)O)c3ccccc32)o1
InChIInChI=1S/C14H13N3O3/c1-9-15-16-13(20-9)8-17-7-10(6-14(18)19)11-4-2-3-5-12(11)17/h2-5,7H,6,8H2,1H3,(H,18,19)
InChIKeyQYPMTKCEKYPUKR-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.01
Rot. Bonds4

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

2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid (PubChem CID 28783031) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
PubChem CID28783031
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
SMILESCc1nnc(Cn2cc(CC(=O)O)c3ccccc32)o1
InChIInChI=1S/C14H13N3O3/c1-9-15-16-13(20-9)8-17-7-10(6-14(18)19)11-4-2-3-5-12(11)17/h2-5,7H,6,8H2,1H3,(H,18,19)
InChIKeyQYPMTKCEKYPUKR-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 107915023
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
CID 56810356
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
CID 63106292
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
CID 107043934
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid
CID 83171441
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
2-[1-(3-methylbut-2-enyl)indol-3-yl]acetic acid
CID 28599761
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
2-[1-[(3-bromophenyl)methyl]indol-3-yl]acetic acid
CID 28599779
2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid (CID 28783031) is 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid is Cc1nnc(Cn2cc(CC(=O)O)c3ccccc32)o1.
What is the InChIKey of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid?
The InChIKey is QYPMTKCEKYPUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-15-16-13(20-9)8-17-7-10(6-14(18)19)11-4-2-3-5-12(11)17/h2-5,7H,6,8H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid?
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid has a molecular weight of 271.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid is sourced from PubChem (CID 28783031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).