2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

C9H16N3O3+ — CID 7391237

IUPAC2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCOCC[NH2+]CC(=O)Nc1cc(C)on1
InChIInChI=1S/C9H15N3O3/c1-7-5-8(12-15-7)11-9(13)6-10-3-4-14-2/h5,10H,3-4,6H2,1-2H3,(H,11,12,13)/p+1
InChIKeyAMWRASLDFLKBIC-UHFFFAOYSA-O
MW214.24 g/mol
LogP-0.87
Rot. Bonds6

About 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 7391237) has the molecular formula C9H16N3O3+ and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
PubChem CID7391237
Molecular FormulaC9H16N3O3+
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCOCC[NH2+]CC(=O)Nc1cc(C)on1
InChIInChI=1S/C9H15N3O3/c1-7-5-8(12-15-7)11-9(13)6-10-3-4-14-2/h5,10H,3-4,6H2,1-2H3,(H,11,12,13)/p+1
InChIKeyAMWRASLDFLKBIC-UHFFFAOYSA-O
XLogP-0.87
TPSA80.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768964
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2621595
2-(2,4-dimethoxy-3-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110769878
3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923105
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923109
2,6-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370352
1-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94031272
2-(3-methoxypropylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109324026

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (CID 7391237) is 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is COCC[NH2+]CC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is AMWRASLDFLKBIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15N3O3/c1-7-5-8(12-15-7)11-9(13)6-10-3-4-14-2/h5,10H,3-4,6H2,1-2H3,(H,11,12,13)/p+1.
What are the key properties of 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 214.24 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 7391237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).