N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide

C15H20N2O3 — CID 166320717

IUPACN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C12CCCC(CO1)C2
InChIInChI=1S/C15H20N2O3/c18-14(15-7-3-4-10(8-15)9-19-15)16-13-11-5-1-2-6-12(11)20-17-13/h10H,1-9H2,(H,16,17,18)
InChIKeyQAJDHMANFIICOF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.45
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide

N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 166320717) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide
PubChem CID166320717
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C12CCCC(CO1)C2
InChIInChI=1S/C15H20N2O3/c18-14(15-7-3-4-10(8-15)9-19-15)16-13-11-5-1-2-6-12(11)20-17-13/h10H,1-9H2,(H,16,17,18)
InChIKeyQAJDHMANFIICOF-UHFFFAOYSA-N
XLogP2.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164638909
CID 164638909
CID 136569317
CID 136569317

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide (CID 166320717) is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide is O=C(Nc1noc2c1CCCC2)C12CCCC(CO1)C2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is QAJDHMANFIICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(15-7-3-4-10(8-15)9-19-15)16-13-11-5-1-2-6-12(11)20-17-13/h10H,1-9H2,(H,16,17,18).
What are the key properties of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide?
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 166320717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).