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

C21H19N3O3S — CID 24612920

IUPAC(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C21H19N3O3S/c25-19(22-13-16-14-27-21(23-16)18-3-2-12-28-18)10-7-15-5-8-17(9-6-15)24-11-1-4-20(24)26/h2-3,5-10,12,14H,1,4,11,13H2,(H,22,25)/b10-7+
InChIKeyPRAAQHRTHXTHFZ-JXMROGBWSA-N
MW393.47 g/mol
LogP3.86
Rot. Bonds6

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

(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide (PubChem CID 24612920) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide
PubChem CID24612920
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C21H19N3O3S/c25-19(22-13-16-14-27-21(23-16)18-3-2-12-28-18)10-7-15-5-8-17(9-6-15)24-11-1-4-20(24)26/h2-3,5-10,12,14H,1,4,11,13H2,(H,22,25)/b10-7+
InChIKeyPRAAQHRTHXTHFZ-JXMROGBWSA-N
XLogP3.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111414127
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
(E)-N-(2-methylsulfonylethyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60573919
(E)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 94133447
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 46566075
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
(Z)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 94161781
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24611227
methyl 4-[[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]methyl]benzoate
CID 17438984
(E)-3-(4-nitrophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 26709613
(E)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 98732214

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide (CID 24612920) is (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1coc(-c2cccs2)n1.
What is the InChIKey of (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide?
The InChIKey is PRAAQHRTHXTHFZ-JXMROGBWSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-19(22-13-16-14-27-21(23-16)18-3-2-12-28-18)10-7-15-5-8-17(9-6-15)24-11-1-4-20(24)26/h2-3,5-10,12,14H,1,4,11,13H2,(H,22,25)/b10-7+.
What are the key properties of (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide?
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide has a molecular weight of 393.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 24612920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).