2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

C14H23N3O2 — CID 86286853

IUPAC2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CN1CCCCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(11-13-7-10-19-15-13)14(18)12-17-8-5-3-2-4-6-9-17/h7,10H,2-6,8-9,11-12H2,1H3
InChIKeySSABXGNPKPTHOC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.90
Rot. Bonds4

About 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 86286853) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID86286853
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CN1CCCCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(11-13-7-10-19-15-13)14(18)12-17-8-5-3-2-4-6-9-17/h7,10H,2-6,8-9,11-12H2,1H3
InChIKeySSABXGNPKPTHOC-UHFFFAOYSA-N
XLogP1.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 72869282
3-(Piperidinocarbonyl)isoxazole
CID 61565011
N~1~-(tert-butyl)-N~3~-(isoxazol-3-ylmethyl)-N~3~-methyl-beta-alaninamide
CID 91831466
(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 97062241
(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one
CID 164639035
N-ethyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 154200133
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide
CID 71858992
N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79487772
2-(1,2-oxazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 81177075
2-(1,2-oxazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113248253
2-fluoro-2-methyl-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 130165204

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 86286853) is 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is CN(Cc1ccon1)C(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is SSABXGNPKPTHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(11-13-7-10-19-15-13)14(18)12-17-8-5-3-2-4-6-9-17/h7,10H,2-6,8-9,11-12H2,1H3.
What are the key properties of 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 86286853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).