N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide

C11H16N2O3 — CID 146095200

IUPACN-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCc1cc(CC)no1
InChIInChI=1S/C11H16N2O3/c1-3-9-7-10(16-13-9)8-15-6-5-12-11(14)4-2/h4,7H,2-3,5-6,8H2,1H3,(H,12,14)
InChIKeySAWLSJRVYRMDTI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds7

About N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide

N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide (PubChem CID 146095200) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide
PubChem CID146095200
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCc1cc(CC)no1
InChIInChI=1S/C11H16N2O3/c1-3-9-7-10(16-13-9)8-15-6-5-12-11(14)4-2/h4,7H,2-3,5-6,8H2,1H3,(H,12,14)
InChIKeySAWLSJRVYRMDTI-UHFFFAOYSA-N
XLogP1.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide (CID 146095200) is N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCc1cc(CC)no1.
What is the InChIKey of N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide?
The InChIKey is SAWLSJRVYRMDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-9-7-10(16-13-9)8-15-6-5-12-11(14)4-2/h4,7H,2-3,5-6,8H2,1H3,(H,12,14).
What are the key properties of N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide?
N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide has a molecular weight of 224.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethyl-1,2-oxazol-5-yl)methoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 146095200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).