3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide

C9H15N3O2 — CID 81170893

IUPAC3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
SMILESCCNCCC(=O)NCc1ccon1
InChIInChI=1S/C9H15N3O2/c1-2-10-5-3-9(13)11-7-8-4-6-14-12-8/h4,6,10H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyBCRIFNRHVKUCNK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.29
Rot. Bonds6

About 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide

3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide (PubChem CID 81170893) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
PubChem CID81170893
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
SMILESCCNCCC(=O)NCc1ccon1
InChIInChI=1S/C9H15N3O2/c1-2-10-5-3-9(13)11-7-8-4-6-14-12-8/h4,6,10H,2-3,5,7H2,1H3,(H,11,13)
InChIKeyBCRIFNRHVKUCNK-UHFFFAOYSA-N
XLogP0.29
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.29
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

N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
CID 79493303
4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
CID 81170882
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide
CID 81170886
2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
CID 167874068
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea
CID 88826570
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide (CID 81170893) is 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide is CCNCCC(=O)NCc1ccon1.
What is the InChIKey of 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide?
The InChIKey is BCRIFNRHVKUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-10-5-3-9(13)11-7-8-4-6-14-12-8/h4,6,10H,2-3,5,7H2,1H3,(H,11,13).
What are the key properties of 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide?
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide has a molecular weight of 197.24 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide is sourced from PubChem (CID 81170893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).