3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one

C11H19N5O3 — CID 157020129

IUPAC3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCCOCCC(=O)N1CCOC(c2nnn(C)n2)C1
InChIInChI=1S/C11H19N5O3/c1-3-18-6-4-10(17)16-5-7-19-9(8-16)11-12-14-15(2)13-11/h9H,3-8H2,1-2H3
InChIKeyJHJGPHSFMVMCQH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.46
Rot. Bonds5

About 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one

3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 157020129) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID157020129
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCCOCCC(=O)N1CCOC(c2nnn(C)n2)C1
InChIInChI=1S/C11H19N5O3/c1-3-18-6-4-10(17)16-5-7-19-9(8-16)11-12-14-15(2)13-11/h9H,3-8H2,1-2H3
InChIKeyJHJGPHSFMVMCQH-UHFFFAOYSA-N
XLogP-0.46
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 162631231
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
CID 163312715
(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014071
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516
imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157013598
1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone
CID 163309338
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014027
1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one
CID 72937889
(4-methoxy-3-morpholin-4-ylphenyl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015275
2-[2-[[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 157017908

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one (CID 157020129) is 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one is CCOCCC(=O)N1CCOC(c2nnn(C)n2)C1.
What is the InChIKey of 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is JHJGPHSFMVMCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-3-18-6-4-10(17)16-5-7-19-9(8-16)11-12-14-15(2)13-11/h9H,3-8H2,1-2H3.
What are the key properties of 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one?
3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 269.30 g/mol, XLogP of -0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 157020129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).