2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide

C18H32N6O3 — CID 110043961

IUPAC2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H32N6O3/c1-4-26-12-5-7-19-18(20-14-17(25)22(2)3)24-10-8-23(9-11-24)15-16-6-13-27-21-16/h6,13H,4-5,7-12,14-15H2,1-3H3,(H,19,20)
InChIKeyHPWOGOIIRVDYKT-UHFFFAOYSA-N
MW380.49 g/mol
LogP0.25
Rot. Bonds9

About 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide

2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110043961) has the molecular formula C18H32N6O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110043961
Molecular FormulaC18H32N6O3
Molecular Weight380.49 g/mol
Exact Mass380.25
IUPAC Name2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C18H32N6O3/c1-4-26-12-5-7-19-18(20-14-17(25)22(2)3)24-10-8-23(9-11-24)15-16-6-13-27-21-16/h6,13H,4-5,7-12,14-15H2,1-3H3,(H,19,20)
InChIKeyHPWOGOIIRVDYKT-UHFFFAOYSA-N
XLogP0.25
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110043942
2-[[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111325611
2-[[(3-ethoxypropylamino)-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 111166263
N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboximidamide
CID 110057768
2-[[(3-ethoxypropylamino)-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111421538
2-[[(2-methoxyethylamino)-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110044433
N,N-dimethyl-2-[[[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110044430
2-[[(3-ethoxypropylamino)-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111242744
2-[[(4-benzylpiperazin-1-yl)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111493284
2-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042498
2-[[(3-ethoxypropylamino)-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043672
2-[[(3-ethoxypropylamino)-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042892

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide (CID 110043961) is 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide is CCOCCCN/C(=N\CC(=O)N(C)C)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is HPWOGOIIRVDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O3/c1-4-26-12-5-7-19-18(20-14-17(25)22(2)3)24-10-8-23(9-11-24)15-16-6-13-27-21-16/h6,13H,4-5,7-12,14-15H2,1-3H3,(H,19,20).
What are the key properties of 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 380.49 g/mol, XLogP of 0.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxypropylamino)-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110043961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).