N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide

C13H12N4O2 — CID 103744016

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1ncno1)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2/c18-13(14-6-5-12-15-8-16-19-12)11-7-9-3-1-2-4-10(9)17-11/h1-4,7-8,17H,5-6H2,(H,14,18)
InChIKeyHHJZPQIYRMVPGF-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 103744016) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID103744016
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1ncno1)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2/c18-13(14-6-5-12-15-8-16-19-12)11-7-9-3-1-2-4-10(9)17-11/h1-4,7-8,17H,5-6H2,(H,14,18)
InChIKeyHHJZPQIYRMVPGF-UHFFFAOYSA-N
XLogP1.52
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide
CID 57211886
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide (CID 103744016) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide is O=C(NCCc1ncno1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is HHJZPQIYRMVPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-13(14-6-5-12-15-8-16-19-12)11-7-9-3-1-2-4-10(9)17-11/h1-4,7-8,17H,5-6H2,(H,14,18).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 103744016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).