2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide

C16H20N2O2 — CID 8006564

IUPAC2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCCCCC1
InChIInChI=1S/C16H20N2O2/c19-16(17-12-7-3-1-2-4-8-12)11-14-13-9-5-6-10-15(13)20-18-14/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,19)
InChIKeySWEVOXIPJYOHIX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.21
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide

2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide (PubChem CID 8006564) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide
PubChem CID8006564
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCCCCC1
InChIInChI=1S/C16H20N2O2/c19-16(17-12-7-3-1-2-4-8-12)11-14-13-9-5-6-10-15(13)20-18-14/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,19)
InChIKeySWEVOXIPJYOHIX-UHFFFAOYSA-N
XLogP3.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide (CID 8006564) is 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide is O=C(Cc1noc2ccccc12)NC1CCCCCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide?
The InChIKey is SWEVOXIPJYOHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(17-12-7-3-1-2-4-8-12)11-14-13-9-5-6-10-15(13)20-18-14/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide?
2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide has a molecular weight of 272.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide is sourced from PubChem (CID 8006564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).