1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone

C16H20N2O3S — CID 136586915

IUPAC1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
SMILESCCO[C@H]1CCN(C(=O)Cc2nc(-c3cccs3)oc2C)C1
InChIInChI=1S/C16H20N2O3S/c1-3-20-12-6-7-18(10-12)15(19)9-13-11(2)21-16(17-13)14-5-4-8-22-14/h4-5,8,12H,3,6-7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyOJICXIYCHNDGJD-LBPRGKRZSA-N
MW320.41 g/mol
LogP2.89
Rot. Bonds5

About 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone

1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 136586915) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
PubChem CID136586915
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
SMILESCCO[C@H]1CCN(C(=O)Cc2nc(-c3cccs3)oc2C)C1
InChIInChI=1S/C16H20N2O3S/c1-3-20-12-6-7-18(10-12)15(19)9-13-11(2)21-16(17-13)14-5-4-8-22-14/h4-5,8,12H,3,6-7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyOJICXIYCHNDGJD-LBPRGKRZSA-N
XLogP2.89
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylmorpholin-4-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 43070547
1-(3-methylpiperazin-1-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119580049
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 55513207
6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136532
4-hydroxy-1-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxamide
CID 146084239
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 31858971
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 94487250
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 94103355
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 55515759
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112813472
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 97002467

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone (CID 136586915) is 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone is CCO[C@H]1CCN(C(=O)Cc2nc(-c3cccs3)oc2C)C1.
What is the InChIKey of 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is OJICXIYCHNDGJD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-20-12-6-7-18(10-12)15(19)9-13-11(2)21-16(17-13)14-5-4-8-22-14/h4-5,8,12H,3,6-7,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 320.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 136586915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).