4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole

C15H15NOS — CID 14613380

IUPAC4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2sccc2-c2ccccc2)=N1
InChIInChI=1S/C15H15NOS/c1-15(2)10-17-14(16-15)13-12(8-9-18-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyJFCYPXMYDQOIJC-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.97
Rot. Bonds2

About 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole

4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole (PubChem CID 14613380) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole
PubChem CID14613380
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2sccc2-c2ccccc2)=N1
InChIInChI=1S/C15H15NOS/c1-15(2)10-17-14(16-15)13-12(8-9-18-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyJFCYPXMYDQOIJC-UHFFFAOYSA-N
XLogP3.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole (CID 14613380) is 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole is CC1(C)COC(c2sccc2-c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole?
The InChIKey is JFCYPXMYDQOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-15(2)10-17-14(16-15)13-12(8-9-18-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole has a molecular weight of 257.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-phenylthiophen-2-yl)-5H-1,3-oxazole is sourced from PubChem (CID 14613380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).