N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide

C20H17N5O3S — CID 135798288

IUPACN'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
SMILESC[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C20H17N5O3S/c1-12(17(26)22-23-18(27)13-7-3-2-4-8-13)29-20-25-24-19(28-20)15-11-21-16-10-6-5-9-14(15)16/h2-12,21H,1H3,(H,22,26)(H,23,27)/t12-/m0/s1
InChIKeyHLPQOLZQJWTPMA-LBPRGKRZSA-N
MW407.46 g/mol
LogP3.16
Rot. Bonds5

About N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide

N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide (PubChem CID 135798288) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
PubChem CID135798288
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
SMILESC[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C20H17N5O3S/c1-12(17(26)22-23-18(27)13-7-3-2-4-8-13)29-20-25-24-19(28-20)15-11-21-16-10-6-5-9-14(15)16/h2-12,21H,1H3,(H,22,26)(H,23,27)/t12-/m0/s1
InChIKeyHLPQOLZQJWTPMA-LBPRGKRZSA-N
XLogP3.16
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.16
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

N-benzyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815016
(2R)-N-(4-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135763679
N-(4-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4817204
N-(4-bromophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815017
(2S)-N-(1-adamantyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135569634
2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 135778026
N-(2,4-dichlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135710088
2-[[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 135588084
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 135569636
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 135916160
(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 135840746

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide (CID 135798288) is N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide is C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide?
The InChIKey is HLPQOLZQJWTPMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-12(17(26)22-23-18(27)13-7-3-2-4-8-13)29-20-25-24-19(28-20)15-11-21-16-10-6-5-9-14(15)16/h2-12,21H,1H3,(H,22,26)(H,23,27)/t12-/m0/s1.
What are the key properties of N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide?
N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide has a molecular weight of 407.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide is sourced from PubChem (CID 135798288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).