7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide

C16H23N3O2 — CID 136564425

IUPAC7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESCC1CC2(CCC2)CN1C(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C16H23N3O2/c1-11-9-16(7-4-8-16)10-19(11)15(20)17-14-12-5-2-3-6-13(12)21-18-14/h11H,2-10H2,1H3,(H,17,18,20)
InChIKeyOOEDTUSWRSNLJT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.35
Rot. Bonds1

About 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide

7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 136564425) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID136564425
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESCC1CC2(CCC2)CN1C(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C16H23N3O2/c1-11-9-16(7-4-8-16)10-19(11)15(20)17-14-12-5-2-3-6-13(12)21-18-14/h11H,2-10H2,1H3,(H,17,18,20)
InChIKeyOOEDTUSWRSNLJT-UHFFFAOYSA-N
XLogP3.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide (CID 136564425) is 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide is CC1CC2(CCC2)CN1C(=O)Nc1noc2c1CCCC2.
What is the InChIKey of 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is OOEDTUSWRSNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-16(7-4-8-16)10-19(11)15(20)17-14-12-5-2-3-6-13(12)21-18-14/h11H,2-10H2,1H3,(H,17,18,20).
What are the key properties of 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide?
7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 136564425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).