5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole

C14H18N2OS — CID 75386199

IUPAC5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole
SMILESCC(Sc1ccncc1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H18N2OS/c1-10(18-11-5-7-15-8-6-11)13-16-9-12(17-13)14(2,3)4/h5-10H,1-4H3
InChIKeyVTOVVQARNFZWBZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.22
Rot. Bonds3

About 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole

5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole (PubChem CID 75386199) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole
PubChem CID75386199
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole
SMILESCC(Sc1ccncc1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H18N2OS/c1-10(18-11-5-7-15-8-6-11)13-16-9-12(17-13)14(2,3)4/h5-10H,1-4H3
InChIKeyVTOVVQARNFZWBZ-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole (CID 75386199) is 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole is CC(Sc1ccncc1)c1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole?
The InChIKey is VTOVVQARNFZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(18-11-5-7-15-8-6-11)13-16-9-12(17-13)14(2,3)4/h5-10H,1-4H3.
What are the key properties of 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole?
5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole has a molecular weight of 262.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1-pyridin-4-ylsulfanylethyl)-1,3-oxazole is sourced from PubChem (CID 75386199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).