N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide

C13H12N4O3 — CID 102737455

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCCc3ncon3)cc2N1
InChIInChI=1S/C13H12N4O3/c18-12-6-8-1-2-9(5-10(8)16-12)13(19)14-4-3-11-15-7-20-17-11/h1-2,5,7H,3-4,6H2,(H,14,19)(H,16,18)
InChIKeyNDYBYSGFTORYLP-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.54
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102737455) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102737455
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCCc3ncon3)cc2N1
InChIInChI=1S/C13H12N4O3/c18-12-6-8-1-2-9(5-10(8)16-12)13(19)14-4-3-11-15-7-20-17-11/h1-2,5,7H,3-4,6H2,(H,14,19)(H,16,18)
InChIKeyNDYBYSGFTORYLP-UHFFFAOYSA-N
XLogP0.54
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712481
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-(2-cyclohexylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712046
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
N-(1,2-oxazol-5-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737501
N-(3-cyclopentylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737359
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
CID 102712457
N-[2-(cyclopropylmethoxy)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737388
N-(2-cyclopentyloxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712402
2-oxo-N-(2-prop-2-ynylsulfanylethyl)-1,3-dihydroindole-6-carboxamide
CID 102737406

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102737455) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)NCCc3ncon3)cc2N1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is NDYBYSGFTORYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-12-6-8-1-2-9(5-10(8)16-12)13(19)14-4-3-11-15-7-20-17-11/h1-2,5,7H,3-4,6H2,(H,14,19)(H,16,18).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102737455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).