(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate

C19H20N2O4 — CID 71882458

IUPAC(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
SMILESCc1nc(COC(=O)C=Cc2ccc(N3CCCC3=O)cc2)oc1C
InChIInChI=1S/C19H20N2O4/c1-13-14(2)25-17(20-13)12-24-19(23)10-7-15-5-8-16(9-6-15)21-11-3-4-18(21)22/h5-10H,3-4,11-12H2,1-2H3
InChIKeyVGJZZYLRZBQYBI-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.17
Rot. Bonds5

About (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate

(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate (PubChem CID 71882458) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
PubChem CID71882458
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
SMILESCc1nc(COC(=O)C=Cc2ccc(N3CCCC3=O)cc2)oc1C
InChIInChI=1S/C19H20N2O4/c1-13-14(2)25-17(20-13)12-24-19(23)10-7-15-5-8-16(9-6-15)21-11-3-4-18(21)22/h5-10H,3-4,11-12H2,1-2H3
InChIKeyVGJZZYLRZBQYBI-UHFFFAOYSA-N
XLogP3.17
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-1,2,4-oxadiazol-5-yl)methyl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 35844367
4-methylpentan-2-yl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 60584561
ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 54417365
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 134012112
3-phenylprop-2-ynyl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 60584526
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-phenylmethoxyprop-2-enamide
CID 25490304
(E)-3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 18923208
4-[(E)-3-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-1-enyl]benzoic acid
CID 7571772
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8650975
(E)-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 111543256
2-methyl-5-[[methyl-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]methyl]furan-3-carboxylic acid
CID 126796017
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 55441480

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
The IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate (CID 71882458) is (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate.
What is the SMILES notation for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
The canonical SMILES for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate is Cc1nc(COC(=O)C=Cc2ccc(N3CCCC3=O)cc2)oc1C.
What is the InChIKey of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
The InChIKey is VGJZZYLRZBQYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-14(2)25-17(20-13)12-24-19(23)10-7-15-5-8-16(9-6-15)21-11-3-4-18(21)22/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 71882458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).