(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide

C19H18N2O3 — CID 110425854

IUPAC(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-14(13-15-5-3-2-4-6-15)18(22)20-16-7-9-17(10-8-16)21-11-12-24-19(21)23/h2-10,13H,11-12H2,1H3,(H,20,22)/b14-13+
InChIKeyVOYHYQNAWRBMKZ-BUHFOSPRSA-N
MW322.36 g/mol
LogP3.69
Rot. Bonds4

About (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide

(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 110425854) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID110425854
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-14(13-15-5-3-2-4-6-15)18(22)20-16-7-9-17(10-8-16)21-11-12-24-19(21)23/h2-10,13H,11-12H2,1H3,(H,20,22)/b14-13+
InChIKeyVOYHYQNAWRBMKZ-BUHFOSPRSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.69
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

(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 1309506
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 110618978
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
(E)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-enoic acid
CID 115342398
(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide
CID 110616348
(E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide
CID 99937613
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid
CID 56798009

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide (CID 110425854) is (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is VOYHYQNAWRBMKZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-14(13-15-5-3-2-4-6-15)18(22)20-16-7-9-17(10-8-16)21-11-12-24-19(21)23/h2-10,13H,11-12H2,1H3,(H,20,22)/b14-13+.
What are the key properties of (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide?
(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 322.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 110425854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).