2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide

C16H22N2O3 — CID 136569316

IUPAC2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
SMILESO=C(CC1CCC2(CCC2)O1)Nc1noc2c1CCCC2
InChIInChI=1S/C16H22N2O3/c19-14(10-11-6-9-16(20-11)7-3-8-16)17-15-12-4-1-2-5-13(12)21-18-15/h11H,1-10H2,(H,17,18,19)
InChIKeyVNMDLUZADQSWHZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.98
Rot. Bonds3

About 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide

2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide (PubChem CID 136569316) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
PubChem CID136569316
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
SMILESO=C(CC1CCC2(CCC2)O1)Nc1noc2c1CCCC2
InChIInChI=1S/C16H22N2O3/c19-14(10-11-6-9-16(20-11)7-3-8-16)17-15-12-4-1-2-5-13(12)21-18-15/h11H,1-10H2,(H,17,18,19)
InChIKeyVNMDLUZADQSWHZ-UHFFFAOYSA-N
XLogP2.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide (CID 136569316) is 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide is O=C(CC1CCC2(CCC2)O1)Nc1noc2c1CCCC2.
What is the InChIKey of 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is VNMDLUZADQSWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(10-11-6-9-16(20-11)7-3-8-16)17-15-12-4-1-2-5-13(12)21-18-15/h11H,1-10H2,(H,17,18,19).
What are the key properties of 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide?
2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 136569316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).