4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole

C15H13NOS — CID 6539916

IUPAC4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole
SMILESCc1ccc(Cc2coc(-c3ccsc3)n2)cc1
InChIInChI=1S/C15H13NOS/c1-11-2-4-12(5-3-11)8-14-9-17-15(16-14)13-6-7-18-10-13/h2-7,9-10H,8H2,1H3
InChIKeyRGMRJWBWBGBFSO-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.30
Rot. Bonds3

About 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole

4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole (PubChem CID 6539916) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole
PubChem CID6539916
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole
SMILESCc1ccc(Cc2coc(-c3ccsc3)n2)cc1
InChIInChI=1S/C15H13NOS/c1-11-2-4-12(5-3-11)8-14-9-17-15(16-14)13-6-7-18-10-13/h2-7,9-10H,8H2,1H3
InChIKeyRGMRJWBWBGBFSO-UHFFFAOYSA-N
XLogP4.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole?
The IUPAC name of 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole (CID 6539916) is 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole is Cc1ccc(Cc2coc(-c3ccsc3)n2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole?
The InChIKey is RGMRJWBWBGBFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-11-2-4-12(5-3-11)8-14-9-17-15(16-14)13-6-7-18-10-13/h2-7,9-10H,8H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole?
4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole has a molecular weight of 255.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-2-thiophen-3-yl-1,3-oxazole is sourced from PubChem (CID 6539916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).