N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide

C17H24N2O3 — CID 136569317

IUPACN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24N2O3/c20-16(12-7-10-21-17(11-12)8-3-4-9-17)18-15-13-5-1-2-6-14(13)22-19-15/h12H,1-11H2,(H,18,19,20)
InChIKeyUWJCIYOXLXXSKT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.23
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide

N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide (PubChem CID 136569317) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
PubChem CID136569317
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24N2O3/c20-16(12-7-10-21-17(11-12)8-3-4-9-17)18-15-13-5-1-2-6-14(13)22-19-15/h12H,1-11H2,(H,18,19,20)
InChIKeyUWJCIYOXLXXSKT-UHFFFAOYSA-N
XLogP3.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide with MolForge

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Related Compounds

(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
CID 166001303
(9S)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
CID 164638909
N-(5-butan-2-yl-4-pentyl-1,2-oxazol-3-yl)propanamide
CID 141544180
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-1,4-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 136564415
2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
CID 136569315
2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
CID 136569316
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
CID 139019044
3-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)oxane-4-carboxamide
CID 146100617
2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 146106823
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxabicyclo[3.2.1]octane-5-carboxamide
CID 166320717
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)prop-2-enamide
CID 166419653
1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide
CID 167780345

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide (CID 136569317) is N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide is O=C(Nc1noc2c1CCCC2)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide?
The InChIKey is UWJCIYOXLXXSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(12-7-10-21-17(11-12)8-3-4-9-17)18-15-13-5-1-2-6-14(13)22-19-15/h12H,1-11H2,(H,18,19,20).
What are the key properties of N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide?
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.23, 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-oxaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 136569317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).