[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone

C17H23N3O3S — CID 125144490

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOC[C@@H]1CCN(C(=O)c2sc(-c3c(C)noc3C)nc2C)C1
InChIInChI=1S/C17H23N3O3S/c1-5-22-9-13-6-7-20(8-13)17(21)15-11(3)18-16(24-15)14-10(2)19-23-12(14)4/h13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyMXPMTTAECYRVQR-CYBMUJFWSA-N
MW349.46 g/mol
LogP3.22
Rot. Bonds5

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 125144490) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID125144490
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOC[C@@H]1CCN(C(=O)c2sc(-c3c(C)noc3C)nc2C)C1
InChIInChI=1S/C17H23N3O3S/c1-5-22-9-13-6-7-20(8-13)17(21)15-11(3)18-16(24-15)14-10(2)19-23-12(14)4/h13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyMXPMTTAECYRVQR-CYBMUJFWSA-N
XLogP3.22
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone (CID 125144490) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone is CCOC[C@@H]1CCN(C(=O)c2sc(-c3c(C)noc3C)nc2C)C1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MXPMTTAECYRVQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-22-9-13-6-7-20(8-13)17(21)15-11(3)18-16(24-15)14-10(2)19-23-12(14)4/h13H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125144490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).