1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide

C22H21N5O3 — CID 24532442

IUPAC1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)CCCc2nc(-c3ccccc3)no2)c2ccccc21
InChIInChI=1S/C22H21N5O3/c1-27-14-17(16-10-5-6-11-18(16)27)22(29)25-24-19(28)12-7-13-20-23-21(26-30-20)15-8-3-2-4-9-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyBHATYXQVDRHXOB-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.01
Rot. Bonds6

About 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide

1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide (PubChem CID 24532442) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide
PubChem CID24532442
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)CCCc2nc(-c3ccccc3)no2)c2ccccc21
InChIInChI=1S/C22H21N5O3/c1-27-14-17(16-10-5-6-11-18(16)27)22(29)25-24-19(28)12-7-13-20-23-21(26-30-20)15-8-3-2-4-9-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyBHATYXQVDRHXOB-UHFFFAOYSA-N
XLogP3.01
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24549115
1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
CID 26815658
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide
CID 55624697
N-[1-(4-methylphenyl)propyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24543553
2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541624
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
CID 55712838
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 16563029

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide (CID 24532442) is 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)CCCc2nc(-c3ccccc3)no2)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide?
The InChIKey is BHATYXQVDRHXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-27-14-17(16-10-5-6-11-18(16)27)22(29)25-24-19(28)12-7-13-20-23-21(26-30-20)15-8-3-2-4-9-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide?
1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide has a molecular weight of 403.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide is sourced from PubChem (CID 24532442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).