N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide

C26H21N5O3 — CID 38035970

IUPACN'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NNC(=O)Cc4c[nH]c5ccccc45)cc3)o2)c1
InChIInChI=1S/C26H21N5O3/c1-16-5-4-6-19(13-16)26-31-30-25(34-26)18-11-9-17(10-12-18)24(33)29-28-23(32)14-20-15-27-22-8-3-2-7-21(20)22/h2-13,15,27H,14H2,1H3,(H,28,32)(H,29,33)
InChIKeyUYDGXAWDERIHFM-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.20
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide (PubChem CID 38035970) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
PubChem CID38035970
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NNC(=O)Cc4c[nH]c5ccccc45)cc3)o2)c1
InChIInChI=1S/C26H21N5O3/c1-16-5-4-6-19(13-16)26-31-30-25(34-26)18-11-9-17(10-12-18)24(33)29-28-23(32)14-20-15-27-22-8-3-2-7-21(20)22/h2-13,15,27H,14H2,1H3,(H,28,32)(H,29,33)
InChIKeyUYDGXAWDERIHFM-UHFFFAOYSA-N
XLogP4.20
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
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CID 26901683
N-[2-(1H-indol-3-yl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9345766
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
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N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
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5-bromo-N'-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]thiophene-2-carbohydrazide
CID 38035727
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide (CID 38035970) is N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide is Cc1cccc(-c2nnc(-c3ccc(C(=O)NNC(=O)Cc4c[nH]c5ccccc45)cc3)o2)c1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
The InChIKey is UYDGXAWDERIHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-16-5-4-6-19(13-16)26-31-30-25(34-26)18-11-9-17(10-12-18)24(33)29-28-23(32)14-20-15-27-22-8-3-2-7-21(20)22/h2-13,15,27H,14H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide has a molecular weight of 451.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide is sourced from PubChem (CID 38035970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).