5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C14H16N4O2 — CID 102791409

IUPAC5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C14H16N4O2/c1-2-15-14(19)13-17-12(20-18-13)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,9,16H,2,7-8H2,1H3,(H,15,19)
InChIKeyFGGVFAXFZFDPJN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.57
Rot. Bonds4

About 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791409) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791409
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C14H16N4O2/c1-2-15-14(19)13-17-12(20-18-13)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,9,16H,2,7-8H2,1H3,(H,15,19)
InChIKeyFGGVFAXFZFDPJN-UHFFFAOYSA-N
XLogP1.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791409) is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(CC2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FGGVFAXFZFDPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-15-14(19)13-17-12(20-18-13)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,9,16H,2,7-8H2,1H3,(H,15,19).
What are the key properties of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).