4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C14H15N5O2 — CID 46883165

IUPAC4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1
InChIInChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18)
InChIKeyPEWIXJYBHWXEPB-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.40
Rot. Bonds3

About 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 46883165) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID46883165
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1
InChIInChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18)
InChIKeyPEWIXJYBHWXEPB-UHFFFAOYSA-N
XLogP2.40
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 46883165) is 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is COc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1.
What is the InChIKey of 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is PEWIXJYBHWXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18).
What are the key properties of 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 285.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 46883165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).