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

C16H19N5O2 — CID 686777

IUPACN-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C16H19N5O2/c1-4-13(22)18-15-14(19-23-20-15)16-17-11-7-5-6-8-12(11)21(16)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,18,20,22)
InChIKeyRBUXVFANAZTJEB-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.09
Rot. Bonds5

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

N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 686777) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID686777
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C16H19N5O2/c1-4-13(22)18-15-14(19-23-20-15)16-17-11-7-5-6-8-12(11)21(16)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,18,20,22)
InChIKeyRBUXVFANAZTJEB-UHFFFAOYSA-N
XLogP3.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide (CID 686777) is N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide is CCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(C)C.
What is the InChIKey of N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is RBUXVFANAZTJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-13(22)18-15-14(19-23-20-15)16-17-11-7-5-6-8-12(11)21(16)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,18,20,22).
What are the key properties of N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 313.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylpropyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 686777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).