3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide

C9H15N3O2 — CID 106371045

IUPAC3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
SMILESCCc1cnc(CNCCC(N)=O)o1
InChIInChI=1S/C9H15N3O2/c1-2-7-5-12-9(14-7)6-11-4-3-8(10)13/h5,11H,2-4,6H2,1H3,(H2,10,13)
InChIKeyOUAJHCASCABJSR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.20
Rot. Bonds6

About 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide

3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide (PubChem CID 106371045) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
PubChem CID106371045
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
SMILESCCc1cnc(CNCCC(N)=O)o1
InChIInChI=1S/C9H15N3O2/c1-2-7-5-12-9(14-7)6-11-4-3-8(10)13/h5,11H,2-4,6H2,1H3,(H2,10,13)
InChIKeyOUAJHCASCABJSR-UHFFFAOYSA-N
XLogP0.20
TPSA81.15 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 ≤ 50.20
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-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylacetamide
CID 106371047
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286
N,N-diethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106371331
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371196
methyl 2-bromo-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanoate
CID 106373494
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114180265
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106371299

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide?
The IUPAC name of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide (CID 106371045) is 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide?
The canonical SMILES for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide is CCc1cnc(CNCCC(N)=O)o1.
What is the InChIKey of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide?
The InChIKey is OUAJHCASCABJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7-5-12-9(14-7)6-11-4-3-8(10)13/h5,11H,2-4,6H2,1H3,(H2,10,13).
What are the key properties of 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide?
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide has a molecular weight of 197.24 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 106371045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).