N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C14H13N5O2 — CID 136914383

IUPACN-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCC(=NNC(=O)c1nonc1C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13N5O2/c1-8(11-7-15-12-6-4-3-5-10(11)12)16-17-14(20)13-9(2)18-21-19-13/h3-7,15H,1-2H3,(H,17,20)
InChIKeyGAGPEYUFGDNFML-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.01
Rot. Bonds3

About N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 136914383) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID136914383
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCC(=NNC(=O)c1nonc1C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13N5O2/c1-8(11-7-15-12-6-4-3-5-10(11)12)16-17-14(20)13-9(2)18-21-19-13/h3-7,15H,1-2H3,(H,17,20)
InChIKeyGAGPEYUFGDNFML-UHFFFAOYSA-N
XLogP2.01
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide
CID 135647008
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6260157
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 136914383) is N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is CC(=NNC(=O)c1nonc1C)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GAGPEYUFGDNFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8(11-7-15-12-6-4-3-5-10(11)12)16-17-14(20)13-9(2)18-21-19-13/h3-7,15H,1-2H3,(H,17,20).
What are the key properties of N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 136914383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).