2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone

C18H20N4O3S — CID 110217567

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ccc(-c2nnc(C3CCCN3C(=O)Cc3c(C)noc3C)o2)s1
InChIInChI=1S/C18H20N4O3S/c1-10-6-7-15(26-10)18-20-19-17(24-18)14-5-4-8-22(14)16(23)9-13-11(2)21-25-12(13)3/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyDRIFHZRUXLAGOU-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.62
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110217567) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110217567
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1ccc(-c2nnc(C3CCCN3C(=O)Cc3c(C)noc3C)o2)s1
InChIInChI=1S/C18H20N4O3S/c1-10-6-7-15(26-10)18-20-19-17(24-18)14-5-4-8-22(14)16(23)9-13-11(2)21-25-12(13)3/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyDRIFHZRUXLAGOU-UHFFFAOYSA-N
XLogP3.62
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenoxy)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110217569
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]ethanone
CID 97313180
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 91919998
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124941800
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53191931
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 97001958
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124969312
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95126946
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110675
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56779603
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430390
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125003566

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone (CID 110217567) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is Cc1ccc(-c2nnc(C3CCCN3C(=O)Cc3c(C)noc3C)o2)s1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DRIFHZRUXLAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-10-6-7-15(26-10)18-20-19-17(24-18)14-5-4-8-22(14)16(23)9-13-11(2)21-25-12(13)3/h6-7,14H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 372.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110217567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).