(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C20H18N2O4S — CID 7888360

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H18N2O4S/c23-18-4-1-9-22(18)11-14-5-7-15(8-6-14)20(24)26-13-16-12-25-19(21-16)17-3-2-10-27-17/h2-3,5-8,10,12H,1,4,9,11,13H2
InChIKeyPDSMOUNUVQJWAQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.88
Rot. Bonds6

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7888360) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID7888360
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H18N2O4S/c23-18-4-1-9-22(18)11-14-5-7-15(8-6-14)20(24)26-13-16-12-25-19(21-16)17-3-2-10-27-17/h2-3,5-8,10,12H,1,4,9,11,13H2
InChIKeyPDSMOUNUVQJWAQ-UHFFFAOYSA-N
XLogP3.88
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate with MolForge

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
CID 7669328
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735924
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 86906530
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7277016
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166865
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681088
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711807
(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30812015
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7888360) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is O=C(OCc1coc(-c2cccs2)n1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is PDSMOUNUVQJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c23-18-4-1-9-22(18)11-14-5-7-15(8-6-14)20(24)26-13-16-12-25-19(21-16)17-3-2-10-27-17/h2-3,5-8,10,12H,1,4,9,11,13H2.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 382.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7888360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).