N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide

C15H15N5O2 — CID 817291

IUPACN-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESC=CCn1c(-c2nonc2NC(=O)CC)nc2ccccc21
InChIInChI=1S/C15H15N5O2/c1-3-9-20-11-8-6-5-7-10(11)16-15(20)13-14(19-22-18-13)17-12(21)4-2/h3,5-8H,1,4,9H2,2H3,(H,17,19,21)
InChIKeyLXUBLVMYBYJFHC-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.62
Rot. Bonds5

About N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide

N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 817291) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID817291
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESC=CCn1c(-c2nonc2NC(=O)CC)nc2ccccc21
InChIInChI=1S/C15H15N5O2/c1-3-9-20-11-8-6-5-7-10(11)16-15(20)13-14(19-22-18-13)17-12(21)4-2/h3,5-8H,1,4,9H2,2H3,(H,17,19,21)
InChIKeyLXUBLVMYBYJFHC-UHFFFAOYSA-N
XLogP2.62
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide (CID 817291) is N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide is C=CCn1c(-c2nonc2NC(=O)CC)nc2ccccc21.
What is the InChIKey of N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is LXUBLVMYBYJFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-3-9-20-11-8-6-5-7-10(11)16-15(20)13-14(19-22-18-13)17-12(21)4-2/h3,5-8H,1,4,9H2,2H3,(H,17,19,21).
What are the key properties of N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide?
N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 297.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-prop-2-enylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 817291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).