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

C17H20N2O2 — CID 47729052

IUPAC(E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C17H20N2O2/c1-12(2)15-7-4-14(5-8-15)6-9-17(20)18-11-16-10-13(3)21-19-16/h4-10,12H,11H2,1-3H3,(H,18,20)/b9-6+
InChIKeyCPYQEILUWYWSPB-RMKNXTFCSA-N
MW284.36 g/mol
LogP3.44
Rot. Bonds5

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

(E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 47729052) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID47729052
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C17H20N2O2/c1-12(2)15-7-4-14(5-8-15)6-9-17(20)18-11-16-10-13(3)21-19-16/h4-10,12H,11H2,1-3H3,(H,18,20)/b9-6+
InChIKeyCPYQEILUWYWSPB-RMKNXTFCSA-N
XLogP3.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.44
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 (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 47729052) is (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1cc(CNC(=O)/C=C/c2ccc(C(C)C)cc2)no1.
What is the InChIKey of (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is CPYQEILUWYWSPB-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)15-7-4-14(5-8-15)6-9-17(20)18-11-16-10-13(3)21-19-16/h4-10,12H,11H2,1-3H3,(H,18,20)/b9-6+.
What are the key properties of (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 47729052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).