(4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide

C17H21N3O3S — CID 95312190

IUPAC(4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CSCN1C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H21N3O3S/c1-3-19(2)17(22)14-10-24-11-20(14)16(21)13-9-15(23-18-13)12-7-5-4-6-8-12/h4-8,14-15H,3,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyQPWJFSFWAVCAOK-LSDHHAIUSA-N
MW347.44 g/mol
LogP1.88
Rot. Bonds4

About (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95312190) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95312190
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CSCN1C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H21N3O3S/c1-3-19(2)17(22)14-10-24-11-20(14)16(21)13-9-15(23-18-13)12-7-5-4-6-8-12/h4-8,14-15H,3,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyQPWJFSFWAVCAOK-LSDHHAIUSA-N
XLogP1.88
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-3-(cyclohexene-1-carbonyl)-N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 99621636
4-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)-methylamino]butanoic acid
CID 119172932
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465
[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94465633
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55509742
(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55941886
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55865096
N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167917657
(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 94609056
3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 55511939

Frequently Asked Questions

What is the IUPAC name of (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 95312190) is (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide is CCN(C)C(=O)[C@@H]1CSCN1C(=O)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is QPWJFSFWAVCAOK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-19(2)17(22)14-10-24-11-20(14)16(21)13-9-15(23-18-13)12-7-5-4-6-8-12/h4-8,14-15H,3,9-11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-ethyl-N-methyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95312190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).