N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide

C13H12N4O3 — CID 42570325

IUPACN-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCO)c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C13H12N4O3/c18-7-6-15-12(19)13-16-11(17-20-13)9-2-1-3-10-8(9)4-5-14-10/h1-5,14,18H,6-7H2,(H,15,19)
InChIKeyXZCHEOBAMMETRG-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.94
Rot. Bonds4

About N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide

N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42570325) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42570325
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCO)c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C13H12N4O3/c18-7-6-15-12(19)13-16-11(17-20-13)9-2-1-3-10-8(9)4-5-14-10/h1-5,14,18H,6-7H2,(H,15,19)
InChIKeyXZCHEOBAMMETRG-UHFFFAOYSA-N
XLogP0.94
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide (CID 42570325) is N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCO)c1nc(-c2cccc3[nH]ccc23)no1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XZCHEOBAMMETRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-7-6-15-12(19)13-16-11(17-20-13)9-2-1-3-10-8(9)4-5-14-10/h1-5,14,18H,6-7H2,(H,15,19).
What are the key properties of N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42570325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).