2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide

C19H23FN2O2 — CID 128759287

IUPAC2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide
SMILESO=C(Cc1noc2ccc(F)cc12)NC1CCCCC12CCCC2
InChIInChI=1S/C19H23FN2O2/c20-13-6-7-16-14(11-13)15(22-24-16)12-18(23)21-17-5-1-2-8-19(17)9-3-4-10-19/h6-7,11,17H,1-5,8-10,12H2,(H,21,23)
InChIKeyMPCSMXLFGRSTOD-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.13
Rot. Bonds3

About 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide

2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide (PubChem CID 128759287) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide
PubChem CID128759287
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide
SMILESO=C(Cc1noc2ccc(F)cc12)NC1CCCCC12CCCC2
InChIInChI=1S/C19H23FN2O2/c20-13-6-7-16-14(11-13)15(22-24-16)12-18(23)21-17-5-1-2-8-19(17)9-3-4-10-19/h6-7,11,17H,1-5,8-10,12H2,(H,21,23)
InChIKeyMPCSMXLFGRSTOD-UHFFFAOYSA-N
XLogP4.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide?
The IUPAC name of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide (CID 128759287) is 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide?
The canonical SMILES for 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide is O=C(Cc1noc2ccc(F)cc12)NC1CCCCC12CCCC2.
What is the InChIKey of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide?
The InChIKey is MPCSMXLFGRSTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-13-6-7-16-14(11-13)15(22-24-16)12-18(23)21-17-5-1-2-8-19(17)9-3-4-10-19/h6-7,11,17H,1-5,8-10,12H2,(H,21,23).
What are the key properties of 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide?
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide has a molecular weight of 330.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,2-benzoxazol-3-yl)-N-spiro[4.5]decan-10-ylacetamide is sourced from PubChem (CID 128759287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).