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

C16H18N2O2 — CID 139016666

IUPACN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O2/c1-4-14(19)17-11-16(2,3)13-10-20-15(18-13)12-8-6-5-7-9-12/h4-10H,1,11H2,2-3H3,(H,17,19)
InChIKeySZZDCGJXVQIGLU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds5

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

N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide (PubChem CID 139016666) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide
PubChem CID139016666
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O2/c1-4-14(19)17-11-16(2,3)13-10-20-15(18-13)12-8-6-5-7-9-12/h4-10H,1,11H2,2-3H3,(H,17,19)
InChIKeySZZDCGJXVQIGLU-UHFFFAOYSA-N
XLogP2.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrimidine-4-carboxamide
CID 146152047
5-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazine-2-carboxamide
CID 167807582
3-chloro-2-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]benzamide
CID 146152051
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-3-methylsulfonylbenzamide
CID 146152057
3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide
CID 146152026
3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide
CID 146150262
[difluoro-[3-[3-[[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl] thiohypofluorite
CID 164881511
2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 67324339
N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide
CID 166259140
N-[2-(tert-butylamino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34201550
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507637
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 81223346

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide?
The IUPAC name of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide (CID 139016666) is N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide is C=CC(=O)NCC(C)(C)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide?
The InChIKey is SZZDCGJXVQIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-14(19)17-11-16(2,3)13-10-20-15(18-13)12-8-6-5-7-9-12/h4-10H,1,11H2,2-3H3,(H,17,19).
What are the key properties of N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide?
N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]prop-2-enamide is sourced from PubChem (CID 139016666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).