N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide

C15H15N5O2 — CID 752229

IUPACN-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1CC1CC1
InChIInChI=1S/C15H15N5O2/c1-9(21)16-14-13(18-22-19-14)15-17-11-4-2-3-5-12(11)20(15)8-10-6-7-10/h2-5,10H,6-8H2,1H3,(H,16,19,21)
InChIKeyZTXVFFSMRKHTMB-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.45
Rot. Bonds4

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

N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 752229) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID752229
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1CC1CC1
InChIInChI=1S/C15H15N5O2/c1-9(21)16-14-13(18-22-19-14)15-17-11-4-2-3-5-12(11)20(15)8-10-6-7-10/h2-5,10H,6-8H2,1H3,(H,16,19,21)
InChIKeyZTXVFFSMRKHTMB-UHFFFAOYSA-N
XLogP2.45
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (CID 752229) is N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1CC1CC1.
What is the InChIKey of N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is ZTXVFFSMRKHTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9(21)16-14-13(18-22-19-14)15-17-11-4-2-3-5-12(11)20(15)8-10-6-7-10/h2-5,10H,6-8H2,1H3,(H,16,19,21).
What are the key properties of N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 297.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 752229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).