N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C19H19N5O2S — CID 38143535

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N5O2S/c25-17(7-8-18-23-24-19(26-18)13-9-11-27-12-13)20-10-3-6-16-21-14-4-1-2-5-15(14)22-16/h1-2,4-5,9,11-12H,3,6-8,10H2,(H,20,25)(H,21,22)
InChIKeyXHYXCHWLABTMPV-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.36
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38143535) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38143535
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N5O2S/c25-17(7-8-18-23-24-19(26-18)13-9-11-27-12-13)20-10-3-6-16-21-14-4-1-2-5-15(14)22-16/h1-2,4-5,9,11-12H,3,6-8,10H2,(H,20,25)(H,21,22)
InChIKeyXHYXCHWLABTMPV-UHFFFAOYSA-N
XLogP3.36
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 77081934
N-(3-pyridin-3-ylpropyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42521898
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38020884
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55742327
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 43229184
4-(1H-benzimidazol-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide
CID 46411184
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38143535) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is XHYXCHWLABTMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-17(7-8-18-23-24-19(26-18)13-9-11-27-12-13)20-10-3-6-16-21-14-4-1-2-5-15(14)22-16/h1-2,4-5,9,11-12H,3,6-8,10H2,(H,20,25)(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 381.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38143535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).