2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide

C19H16N2O2 — CID 67876263

IUPAC2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1-c1ccc(-c2cnco2)cc1
InChIInChI=1S/C19H16N2O2/c1-13(2)19(22)21-17-6-4-3-5-16(17)14-7-9-15(10-8-14)18-11-20-12-23-18/h3-12H,1H2,2H3,(H,21,22)
InChIKeyQHZZIYFKTMAIFJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.52
Rot. Bonds4

About 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide

2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide (PubChem CID 67876263) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide
PubChem CID67876263
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1-c1ccc(-c2cnco2)cc1
InChIInChI=1S/C19H16N2O2/c1-13(2)19(22)21-17-6-4-3-5-16(17)14-7-9-15(10-8-14)18-11-20-12-23-18/h3-12H,1H2,2H3,(H,21,22)
InChIKeyQHZZIYFKTMAIFJ-UHFFFAOYSA-N
XLogP4.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.52
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-(1,3-oxazol-5-yl)phenyl]urea
CID 154339751
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930
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CID 75461935
2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide
CID 168520650
benzene;5-phenyl-1,3-oxazole
CID 69095044
3-hydroxy-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylbutanamide
CID 90178107
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
CID 66174342
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
2-methyl-N-[2-[10,15,20-tris[2-(2-methylprop-2-enoylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]prop-2-enamide
CID 91183970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide (CID 67876263) is 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccccc1-c1ccc(-c2cnco2)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide?
The InChIKey is QHZZIYFKTMAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13(2)19(22)21-17-6-4-3-5-16(17)14-7-9-15(10-8-14)18-11-20-12-23-18/h3-12H,1H2,2H3,(H,21,22).
What are the key properties of 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide?
2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 67876263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).