2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

C9H15N3O3 — CID 3858413

IUPAC2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1coc(CCN)n1
InChIInChI=1S/C9H15N3O3/c1-14-5-4-11-9(13)7-6-15-8(12-7)2-3-10/h6H,2-5,10H2,1H3,(H,11,13)
InChIKeyLQQOGSGBDAOMSQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.45
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3858413) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID3858413
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1coc(CCN)n1
InChIInChI=1S/C9H15N3O3/c1-14-5-4-11-9(13)7-6-15-8(12-7)2-3-10/h6H,2-5,10H2,1H3,(H,11,13)
InChIKeyLQQOGSGBDAOMSQ-UHFFFAOYSA-N
XLogP-0.45
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3847956
1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone
CID 115081953
N-(2-methoxyethyl)-2-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4037478
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424319
N-(2-methoxyethyl)-2-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3570299
N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209358
ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
CID 44516087
2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42834337
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42850946
N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835099

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (CID 3858413) is 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is COCCNC(=O)c1coc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LQQOGSGBDAOMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-5-4-11-9(13)7-6-15-8(12-7)2-3-10/h6H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3858413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).