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

C22H21N5O3 — CID 18274141

IUPACN'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
SMILESCc1ccc(-c2nnc(CCC(=O)NNC(=O)Cc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C22H21N5O3/c1-14-6-8-15(9-7-14)22-27-26-21(30-22)11-10-19(28)24-25-20(29)12-16-13-23-18-5-3-2-4-17(16)18/h2-9,13,23H,10-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyRWKQKCUZQRVHSG-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.85
Rot. Bonds6

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

N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide (PubChem CID 18274141) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
PubChem CID18274141
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
SMILESCc1ccc(-c2nnc(CCC(=O)NNC(=O)Cc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C22H21N5O3/c1-14-6-8-15(9-7-14)22-27-26-21(30-22)11-10-19(28)24-25-20(29)12-16-13-23-18-5-3-2-4-17(16)18/h2-9,13,23H,10-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyRWKQKCUZQRVHSG-UHFFFAOYSA-N
XLogP2.85
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.85
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

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110334003
N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
CID 38035970
N'-[2-(2-fluorophenoxy)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
CID 9085872
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 17484675
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1H-indol-3-yl)acetate
CID 7663974

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide (CID 18274141) is N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide is Cc1ccc(-c2nnc(CCC(=O)NNC(=O)Cc3c[nH]c4ccccc34)o2)cc1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide?
The InChIKey is RWKQKCUZQRVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14-6-8-15(9-7-14)22-27-26-21(30-22)11-10-19(28)24-25-20(29)12-16-13-23-18-5-3-2-4-17(16)18/h2-9,13,23H,10-12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide has a molecular weight of 403.44 g/mol, XLogP of 2.85, 6 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]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide is sourced from PubChem (CID 18274141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).