N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide

C7H8N2O2 — CID 39869323

IUPACN-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)on1
InChIInChI=1S/C7H8N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyWMKYFMQVPQEVFU-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.11
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide

N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide (PubChem CID 39869323) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
PubChem CID39869323
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)on1
InChIInChI=1S/C7H8N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyWMKYFMQVPQEVFU-UHFFFAOYSA-N
XLogP1.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide (CID 39869323) is N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide is C=CC(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The InChIKey is WMKYFMQVPQEVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h3-4H,1H2,2H3,(H,8,9,10).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide has a molecular weight of 152.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide is sourced from PubChem (CID 39869323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).