2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone

C10H11NO2S — CID 116826388

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)CC1=NCCO1
InChIInChI=1S/C10H11NO2S/c1-7-2-5-14-10(7)8(12)6-9-11-3-4-13-9/h2,5H,3-4,6H2,1H3
InChIKeyCZDPFHKIJVMNIA-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.06
Rot. Bonds3

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone (PubChem CID 116826388) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone
PubChem CID116826388
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)CC1=NCCO1
InChIInChI=1S/C10H11NO2S/c1-7-2-5-14-10(7)8(12)6-9-11-3-4-13-9/h2,5H,3-4,6H2,1H3
InChIKeyCZDPFHKIJVMNIA-UHFFFAOYSA-N
XLogP2.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone (CID 116826388) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1C(=O)CC1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone?
The InChIKey is CZDPFHKIJVMNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7-2-5-14-10(7)8(12)6-9-11-3-4-13-9/h2,5H,3-4,6H2,1H3.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone?
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone has a molecular weight of 209.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 116826388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).