N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide

C20H20N2O2 — CID 138023982

IUPACN-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide
SMILESO=C(NCCc1noc2ccccc12)c1ccccc1C1CCC1
InChIInChI=1S/C20H20N2O2/c23-20(16-9-2-1-8-15(16)14-6-5-7-14)21-13-12-18-17-10-3-4-11-19(17)24-22-18/h1-4,8-11,14H,5-7,12-13H2,(H,21,23)
InChIKeyASXNWEAXPLWURF-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide

N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide (PubChem CID 138023982) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide.

Molecular Properties

Compound NameN-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide
PubChem CID138023982
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide
SMILESO=C(NCCc1noc2ccccc12)c1ccccc1C1CCC1
InChIInChI=1S/C20H20N2O2/c23-20(16-9-2-1-8-15(16)14-6-5-7-14)21-13-12-18-17-10-3-4-11-19(17)24-22-18/h1-4,8-11,14H,5-7,12-13H2,(H,21,23)
InChIKeyASXNWEAXPLWURF-UHFFFAOYSA-N
XLogP4.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide?
The IUPAC name of N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide (CID 138023982) is N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide.
What is the SMILES notation for N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide?
The canonical SMILES for N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide is O=C(NCCc1noc2ccccc12)c1ccccc1C1CCC1.
What is the InChIKey of N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide?
The InChIKey is ASXNWEAXPLWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(16-9-2-1-8-15(16)14-6-5-7-14)21-13-12-18-17-10-3-4-11-19(17)24-22-18/h1-4,8-11,14H,5-7,12-13H2,(H,21,23).
What are the key properties of N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide?
N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzoxazol-3-yl)ethyl]-2-cyclobutylbenzamide is sourced from PubChem (CID 138023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).