3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide

C14H14N2O2 — CID 47353684

IUPAC3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C14H14N2O2/c1-10(2)6-14(17)16-12-5-3-4-11(7-12)13-8-15-9-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyIEIOZSSPZGZHAX-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.25
Rot. Bonds3

About 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide

3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide (PubChem CID 47353684) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
PubChem CID47353684
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C14H14N2O2/c1-10(2)6-14(17)16-12-5-3-4-11(7-12)13-8-15-9-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyIEIOZSSPZGZHAX-UHFFFAOYSA-N
XLogP3.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.25
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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Related Compounds

2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671
5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
N-[3-(1,3-oxazol-5-yl)phenyl]imidazole-1-carboxamide
CID 81257187
2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
CID 71865394

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide (CID 47353684) is 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide is CC(C)=CC(=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide?
The InChIKey is IEIOZSSPZGZHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(2)6-14(17)16-12-5-3-4-11(7-12)13-8-15-9-18-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide?
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide is sourced from PubChem (CID 47353684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).