N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide

C18H15N5O3S — CID 30147385

IUPACN'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide
SMILESO=C(CCc1nc(-c2cccs2)no1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H15N5O3S/c24-15(7-8-16-20-17(23-26-16)14-6-3-9-27-14)21-22-18(25)12-10-19-13-5-2-1-4-11(12)13/h1-6,9-10,19H,7-8H2,(H,21,24)(H,22,25)
InChIKeyWAUGHNKFZKYQRX-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.67
Rot. Bonds5

About N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide

N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide (PubChem CID 30147385) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide
PubChem CID30147385
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide
SMILESO=C(CCc1nc(-c2cccs2)no1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H15N5O3S/c24-15(7-8-16-20-17(23-26-16)14-6-3-9-27-14)21-22-18(25)12-10-19-13-5-2-1-4-11(12)13/h1-6,9-10,19H,7-8H2,(H,21,24)(H,22,25)
InChIKeyWAUGHNKFZKYQRX-UHFFFAOYSA-N
XLogP2.67
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 9086680
4-oxo-3-propan-2-yl-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 35767753
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 27691817
N-[(4-methylphenyl)methyl]-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55467129
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453161
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 55414036
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide (CID 30147385) is N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide is O=C(CCc1nc(-c2cccs2)no1)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide?
The InChIKey is WAUGHNKFZKYQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-15(7-8-16-20-17(23-26-16)14-6-3-9-27-14)21-22-18(25)12-10-19-13-5-2-1-4-11(12)13/h1-6,9-10,19H,7-8H2,(H,21,24)(H,22,25).
What are the key properties of N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide?
N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide has a molecular weight of 381.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).