N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C13H14N4O2 — CID 106397579

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCc1ncno1)C1Cc2ccccc2N1
InChIInChI=1S/C13H14N4O2/c18-13(14-6-5-12-15-8-16-19-12)11-7-9-3-1-2-4-10(9)17-11/h1-4,8,11,17H,5-7H2,(H,14,18)
InChIKeyYDKWGTCYHQGFLP-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.77
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 106397579) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID106397579
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCc1ncno1)C1Cc2ccccc2N1
InChIInChI=1S/C13H14N4O2/c18-13(14-6-5-12-15-8-16-19-12)11-7-9-3-1-2-4-10(9)17-11/h1-4,8,11,17H,5-7H2,(H,14,18)
InChIKeyYDKWGTCYHQGFLP-UHFFFAOYSA-N
XLogP0.77
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77061490
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931777
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76897371
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61165378
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
CID 114264870

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 106397579) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCCc1ncno1)C1Cc2ccccc2N1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is YDKWGTCYHQGFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(14-6-5-12-15-8-16-19-12)11-7-9-3-1-2-4-10(9)17-11/h1-4,8,11,17H,5-7H2,(H,14,18).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.77, 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-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106397579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).