3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide

C18H22N2O2 — CID 108784863

IUPAC3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H22N2O2/c1-4-11-19-17(21)9-10-18-20-12-16(22-18)15-7-5-14(6-8-15)13(2)3/h4-8,12-13H,1,9-11H2,2-3H3,(H,19,21)
InChIKeyPHDDFPOOGZRZST-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.70
Rot. Bonds7

About 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide (PubChem CID 108784863) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
PubChem CID108784863
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H22N2O2/c1-4-11-19-17(21)9-10-18-20-12-16(22-18)15-7-5-14(6-8-15)13(2)3/h4-8,12-13H,1,9-11H2,2-3H3,(H,19,21)
InChIKeyPHDDFPOOGZRZST-UHFFFAOYSA-N
XLogP3.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784851
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784762
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119525269
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 108784772
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
N-[4-(diethylamino)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784918
trans-(1S,2R)-2-[[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108809128
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
N-(6-methyl-2-pyridinyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798165

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide (CID 108784863) is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
The InChIKey is PHDDFPOOGZRZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-11-19-17(21)9-10-18-20-12-16(22-18)15-7-5-14(6-8-15)13(2)3/h4-8,12-13H,1,9-11H2,2-3H3,(H,19,21).
What are the key properties of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide?
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 108784863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).