1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone

C10H13NO2S — CID 106923940

IUPAC1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)C1CCCC1
InChIInChI=1S/C10H13NO2S/c12-9(8-3-1-2-4-8)7-14-10-11-5-6-13-10/h5-6,8H,1-4,7H2
InChIKeyVDBHAXMMEVVTPN-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.53
Rot. Bonds4

About 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone

1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone (PubChem CID 106923940) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone
PubChem CID106923940
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1ncco1)C1CCCC1
InChIInChI=1S/C10H13NO2S/c12-9(8-3-1-2-4-8)7-14-10-11-5-6-13-10/h5-6,8H,1-4,7H2
InChIKeyVDBHAXMMEVVTPN-UHFFFAOYSA-N
XLogP2.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone (CID 106923940) is 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone is O=C(CSc1ncco1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The InChIKey is VDBHAXMMEVVTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9(8-3-1-2-4-8)7-14-10-11-5-6-13-10/h5-6,8H,1-4,7H2.
What are the key properties of 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,3-oxazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 106923940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).