5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

C14H13NOS — CID 159019718

IUPAC5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2CC(c3cccs3)=NO2)cc1
InChIInChI=1S/C14H13NOS/c1-10-4-6-11(7-5-10)13-9-12(15-16-13)14-3-2-8-17-14/h2-8,13H,9H2,1H3
InChIKeyJTNNFTSMSMMXNO-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.92
Rot. Bonds2

About 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole

5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 159019718) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID159019718
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2CC(c3cccs3)=NO2)cc1
InChIInChI=1S/C14H13NOS/c1-10-4-6-11(7-5-10)13-9-12(15-16-13)14-3-2-8-17-14/h2-8,13H,9H2,1H3
InChIKeyJTNNFTSMSMMXNO-UHFFFAOYSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 159019718) is 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is Cc1ccc(C2CC(c3cccs3)=NO2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is JTNNFTSMSMMXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-10-4-6-11(7-5-10)13-9-12(15-16-13)14-3-2-8-17-14/h2-8,13H,9H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 243.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 159019718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).