3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

C24H25N3O3S — CID 86883824

IUPAC3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)C1CSCN1C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H25N3O3S/c1-26(2)24(29)19-15-31-16-27(19)21(28)14-13-20-25-22(17-9-5-3-6-10-17)23(30-20)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyVGLKWFBAQLFZFX-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.93
Rot. Bonds6

About 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 86883824) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID86883824
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)C1CSCN1C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H25N3O3S/c1-26(2)24(29)19-15-31-16-27(19)21(28)14-13-20-25-22(17-9-5-3-6-10-17)23(30-20)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyVGLKWFBAQLFZFX-UHFFFAOYSA-N
XLogP3.93
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
N-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 43040254
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 86966390
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
CID 68798727
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18293107
2-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196063
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 175600148
ethyl 3-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoate
CID 19698612

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 86883824) is 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)C1CSCN1C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is VGLKWFBAQLFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-26(2)24(29)19-15-31-16-27(19)21(28)14-13-20-25-22(17-9-5-3-6-10-17)23(30-20)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3.
What are the key properties of 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 86883824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).