1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one

C10H13NO2S — CID 110740009

IUPAC1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCOC1
InChIInChI=1S/C10H13NO2S/c12-10(11-5-6-13-8-11)4-3-9-2-1-7-14-9/h1-2,7H,3-6,8H2
InChIKeyPYYKSRBRDNFOSQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.50
Rot. Bonds3

About 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one

1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 110740009) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID110740009
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCOC1
InChIInChI=1S/C10H13NO2S/c12-10(11-5-6-13-8-11)4-3-9-2-1-7-14-9/h1-2,7H,3-6,8H2
InChIKeyPYYKSRBRDNFOSQ-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110665574
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-thiophen-2-ylpropan-1-one
CID 119636693
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420641
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119636692
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
CID 131720366

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one (CID 110740009) is 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCOC1.
What is the InChIKey of 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is PYYKSRBRDNFOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(11-5-6-13-8-11)4-3-9-2-1-7-14-9/h1-2,7H,3-6,8H2.
What are the key properties of 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one?
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 211.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110740009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).