N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide

C15H21N3O2 — CID 154786144

IUPACN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)N1CCCC2(CC2)C1
InChIInChI=1S/C15H21N3O2/c19-14(18-9-3-6-15(10-18)7-8-15)16-13-11-4-1-2-5-12(11)20-17-13/h1-10H2,(H,16,17,19)
InChIKeyKCAADDBDHUBQPM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.96
Rot. Bonds1

About N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide

N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide (PubChem CID 154786144) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide
PubChem CID154786144
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)N1CCCC2(CC2)C1
InChIInChI=1S/C15H21N3O2/c19-14(18-9-3-6-15(10-18)7-8-15)16-13-11-4-1-2-5-12(11)20-17-13/h1-10H2,(H,16,17,19)
InChIKeyKCAADDBDHUBQPM-UHFFFAOYSA-N
XLogP2.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide (CID 154786144) is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide is O=C(Nc1noc2c1CCCC2)N1CCCC2(CC2)C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide?
The InChIKey is KCAADDBDHUBQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(18-9-3-6-15(10-18)7-8-15)16-13-11-4-1-2-5-12(11)20-17-13/h1-10H2,(H,16,17,19).
What are the key properties of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide?
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-5-azaspiro[2.5]octane-5-carboxamide is sourced from PubChem (CID 154786144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).