cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone

C12H11NO2S — CID 67779037

IUPACcyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone
SMILESCc1csc(-c2oncc2C(=O)C2CC2)c1
InChIInChI=1S/C12H11NO2S/c1-7-4-10(16-6-7)12-9(5-13-15-12)11(14)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyJJHVKVOELOPBMT-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.30
Rot. Bonds3

About cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone

cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone (PubChem CID 67779037) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone
PubChem CID67779037
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namecyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone
SMILESCc1csc(-c2oncc2C(=O)C2CC2)c1
InChIInChI=1S/C12H11NO2S/c1-7-4-10(16-6-7)12-9(5-13-15-12)11(14)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyJJHVKVOELOPBMT-UHFFFAOYSA-N
XLogP3.30
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone (CID 67779037) is cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone is Cc1csc(-c2oncc2C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone?
The InChIKey is JJHVKVOELOPBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-4-10(16-6-7)12-9(5-13-15-12)11(14)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone?
cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone has a molecular weight of 233.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 67779037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).